MSc. Chemistry Syllabus-1st to 4th Semester, TU, Nepal

Table of Contents

This post is about the detailed content of MSc. Chemistry syllabus for the Tribuwan university. This master’s program is divided into four semesters in total as 1st, 2nd, 3rd, and 4th, each semester has a duration of about 6 months like other semester programs. If you are planning to study master’s in chemistry at Tribuwan university, there will be an entrance exam each year. You must pass the entrance exam in order to be enrolled. In Nepal, you can find out only a few colleges to study this master’s program. Some of the colleges are listed here.

  1. Central Department of Chemistry, Kirtipur
  2. Amrit Science Campus, Lainchaur,kathmanud
  3. Trichandra Multiple Campus, Kathmandu.
  4. Birendra Multiple campus, Chitwan
  5. Golden Gate College , Kathmandu

Note: Please comment down the name of the missing college.

Eligibility for enrollment

  • Any student who have done bachelor degree in chemistry in any TU affiliated college or other Universities.
  • Any student who have passed in the entrance examination held by TU.

Among the Central department, Amrit Science campus, and Trichandra campus, Top 90 students will be eligible to be enrolled in the central department. The remaining 45 students and others who have lower rank in the entrance can join the Amrit science campus and Trichandra Campus respectively.

Objective of Master in Chemistry

  • To produce highly skillful manpower
  • To conduct different research program in chemistry

Master chemistry First Semester syllabus

A. Inorganic chemistry

Group A

Atomic structure:

  • Review lecture
  • Schrodinger wave equation, interpretation of the wave function, normalized and orthogonal wave functions, the principle of superposition,
  • the particle in one-dimensional box, the particle in a three dimensional box, degeneracy
  • hydrogen atom, transformation of coordinates, separation of variables, the Φ equation, the θ equation, spherical harmonics, the radial equation
  • quantum state, electron spin, energy states of the hydrogen atom, the self consistent field method
  • Wave function of the hydrogen atoms, radial distribution curves, angular dependence of the wave function
  • atomic spectra and term symbols.

Group B

Covalent Bond:

  • The variation method, ground state energy of hydrogen atom
  • The secular equations, non crossing rule

Hybridization:

  • Sp3 hybridization, hybridization with d orbitals, dsp3 and dsp2 hybridization, trigonal and diagonal hybrids
  • non equivalent hybrids, relative strength and angular distribution of hybrid orbitals
  • contours plots of hybrid orbitals, construction of hybrid orbitals
  • effect of unshared pair on hybridization.

Group C

Molecular orbital Theory:

  • Molecular orbitals and its types, LCAO approximation
  • significance of resonance integral
  • Hydrogen molecule ion, hydrogen molecule, other homonuclear diatomics, heteronuclear diatomics
  • experimental determination of molecular structure

Valence Bond Theory:

  • Valence bond method, hydrogen molecule, other homonuclear diatomics, heteronuclear diatomics
  • quantum mechanical structures and the meaning of resonance

Group D

Analytical and Instrumental:

  • A brief review on chemical analysis
  • Redox titration: use of potassium bromate, ceric salts, redox indicators
  • Complexometric titratrion: metal ion indicator
  • Adsorption titration: adsorption indicators, uses of common organic reagent in chemical analysis(dmg,oxine,cupferron).

Working principle, Instrumentation, and applications of the following spectroscopic techniques:

  • Atomic absorption spectroscopy
  • Atomic emission spectroscopy: flame photometry, atomic flourescence spectroscopy,plasma emmsion spectroscopy(direct current plasma and inductively coupled plasma)
  • Molecular luminescence: fluorescence and phosporescence
  • Thermal analysis: Thermo-gravimetric analysis (TGA), differential thermal analysis(DTA)

B. Physical Chemistry

Group A

Advanced Surface Characterization Techniques:

  • Introduction of solid surfaces, Electron emission spectroscopy and imaging microscopic techniques
  • X-ray photoelectron spectroscopy(XPS):Introduction, basic principle, instrumentation, XPS spectra, applications, advantages and limitations
  • Angle-resolved XPS(ARXPS): basic principle, instrumentation, advantages and limitations
  • Auger electron spectroscopy(AES):basic principle, instrumentation, advantages and limitations, Comparision between XPS and AES
  • Scanning electron microscopy(SEM): Introduction, basic principle, types of emitted electron for SEM, instrumentation,applications, advantages and limitations
  • Scanning probe microscopy(SPM): Introduction, general principle of SPM, principle of scanning tunneling microscopy(STM), Principle of atomic force microscopy(AFM), Instrumentation of STM and AFM, different modes of STM and AFM, applications, advantages and limitaions of SPM.
  • Transmission electron microscopy( TEM): Introduction, basic principle, modes, instrumentation, applications, advantages and limitations.

Group B

Electro-analytical Methods:

  • Definition and classification of electro-analytical methods
  • Basic principles of Voltammetry
  • Principle, instrumentation, application, and limitations of Dc polarography
  • Pulse voltammetry(normal pulse, differential pulse, square wave)
  • Cyclic voltammetry, stripping voltammetry, AC voltammetry
  • Amperometry(one electrode and two electrode system)
  • Karl fisher titration
  • Coulometry
  • Electrogravimetry
  • Ion-selective electrodes(glass and solid state)

Group C

Chemical Kinetics:

  • Methods of fast reaction kinetics: flow,relaxation, flash photolysis
  • Polymerization kinetics:derivation of rate equation for molecular and free radical mechanism, cationic, anionic and emulsion polymerizations, related numericals
  • Enzyme catalyzed reaction kinetics: Michaelis-Menten mechanism of enzyme action, derivation of rate equation, graphical representation, influence of pH and temperature in enzyme actions and related numericals
  • Oscillating reaction kinetics: introduction, Lotka-Volterra mechanism of chemical oscillation
  • Diffusion controlled reaction in solutions: introduction, kinetics of diffusion controlled reactions, kinetic salt effect, related numericals
  • Electron transfer reaction, potential energy surfaces(attractive and repulsive surfaces)
  • Classical trajectories: brief explanation with curve.

Group D

Group Theory for Chemistry:

  • Concept of group theory,group multiplication tables, cyclic and abelian groups, subgroups, similarity transforms, classes
  • Symmetry elements, symmetry operations as group elements, consequences of symmetry, systematic classification of molecules into point group
  • Matrix representations of symmetry operations and groups
  • Reducible and irreducible representations
  • Greater orthogonality theorem, character tables,properties of character tables and reduction formula.
  • Bond vectors and mathematical functions as basis for representations
  • Basic concept of application of group theory in chemical bonding and normal mode of molecular vibration(IR and Raman)

C. Organic chemistry

Group A

Acids and Bases:

  • Bronsted theory, the origin of acidity in organic compounds(factors influencing the acidity of an organic compounds)
  • Mechanism of proton transfer reactions, acid and base solvents, mesurement of solvent acidity(mathematical derivation)
  • Acid and base catalysis(general and specific)
  • Bronsted and Marcus equation, Lewis acids and bases, hard and soft acids and bases
  • Effect of structures on the strengths of acids and bases, effect of medium on acid and base strengh

Effects of Structure on Reactivity:

  • Resonance and field effects, steric effects
  • Quantitative treatments of the effect of structure on reactivity( The Hammett equation), substituent constant σx, reaction constant ρ, physical significance of σx ,physical significance of ρ
  • Uses of Hammett plots

Group B

Aliphatic Nucleophilic Substitution:

  • Review lecture( SN1 and SN2 reaction and mechanism with suitable examples, the neighboring-group mechanism, the neighboring group participation by sigma and pi bonds, non-classical carbocations)
  • Ion-pairs in the SN1 mechanism, mixed SN1 and SN2 reactions, SET mechanism
  • Nucleophilic substitution at allylic carbon, nucleophilic substitution at vinylic carbon, nucleophilic substitution at a trigonal carbon, SNi reaction and mechanism.

Aromatic Nucleophilic Substitution:

  • Introduction, SNAr mechanism, the SN1 mechanism, SRN1 mechanism, the benzyne mechanism

Aromatic Electrophilic Substitution:

  • Arenium ion mechanism, evidences for the arenium ion mechanism
  • The SE1 mechanism, orientation and reactivity in mono substituted benzene ring, ortho/para ratio, Ipso attack

Aliphatic Electrophilic Substitution:

  • Mechanisms, biomolecular mechanism SE2 and SEi mechanism, SE1 with suitable examples
  • Electrophilic substitution accompanied by double bond shift.

Free Radical Substitution:

  • Mechanisms, free radical mechanism in general, free radical mechanism
  • Mechanisms at an aromatic substrate, neighboring group assistance in free radical reactions
  • Allylic halogenations

Group C

Elimination Reaction:

  • Review lecture, The E1 mechanism, E2 mechanism, E1cB mechanism, E2C mechanism
  • E1-E2-E1cB spectrum, steric orientation of the double bond
  • Reactivity: Effect of substrate structure, effect of attacking base, effect of leaving group, effect of the medium
  • Mechansim and orientation in pyrolytic elimination, orientation of double bonds.

Synthetic Reactions and Reagents:

  • Carbon-carbon doule bond forming reaction of organometallic reagents
  • Carbon-carbon double bond forming reactions: Shapiro reaction, Bamford Steven reaction, Julia olefination reaction, Petersion chain olefination reaction
  • Carbon-heteromultiple bond forming reactions: Passerini and Ugi reactions, Mannich reaction
  • Ring forming reactions: Pauson- Khand reaction, Demjenov cyclization
  • Other synthetic reactions: Eschenmoser- Tanabe ring cleavage reaction, Mitsunobu reaction, Stork enamine reaction, Michael reaction.

Group D

Photochemistry:

  • Introduction, thermal and photochemical energy, activation energy, photochemical excitation,electronic transition
  • Jablonski diagrams, intersystem crossing, photolytic cleavage, laws of photochemistry, quantum yield
  • Phtochemistry of carbonyl compounds, Norrish Type I and II reactions
  • Paterno Buchii reaction
  • Olefin photochemistry
  • Photodimerization
  • Photoreduction of carbonyl compounds
  • Photochemical oxidation, Photo-rearrangement
  • Photochemistry of α-,β -unsaturated ketones
  • Photochemistry of aromatic compounds
  • Introduction to electrocyclic reactions and cycloaddition

Master chemistry Second Semester syllabus

Inorganic chemistry

Group A

Co-ordination Compounds: Crystal field theory, splitting of orbitals in different geometries using group theory, crystal field stabilization energy, explanation of spectrochemical series, limitations and uses of CFT, Evidences for covalent bonding in complex and nephelauxetic series, thermodynamic effect of CFSE, enthalpies of hydration and free energy, lattice energies, Jahn Teller effect, dynamic Jahn Teller behavior, explanation of magnetic properties, colour of transition metal complexes, characterization of coordination compounds, different spectroscopic and analytical techniques.

Group B

Acid Base Chemistry: Review of acid base concept, generalized acid-base concept, measures of acid base strength, Lewis interaction in non polar solvents, systematic of Lewis acid-base interaction, bond energies, steric effects, proton sponges, solvation effect, and acid-base anomalies, acid-base strength and hardness and softness, electronegativity and hardness and softness, MC-Daniel diagram, super acids and super bases.

Chromatography: Size exclusion chromatography, ion exclusion chromatography, ion retardation chromatography, inorganic molecular sieves.

Isoelectronic and Isolobal Relationship: Isoelectronic species, criteria for isolobality, organic and organometallic isolobal fragements, extension of isolobal analogy, importance of the concept of isolobality.

Supra Molecular Chemistry: Molecular recognization, transformation and translocation, supra molecules, supra molecular assemblies, factors affecting molecular recognization, crown ethers, cryptands, mesoporous materials, inorganic-organic nanocomposities catalysis.

Group C

Buckminister Fullerene: Introduction, preparation, structure, compounds formed by fullerene, higher fullerenes.

Nanochemistry: Fundamentals of nanochemistry, building blocks, concepts of quantum dots, tools of nanotechnology (AFM, SEM, TEM, STM), applications and toxicity of nanomaterials.

Carbon Nanotubes: Introduction, types of carbon nanotubes, different synthesis techniques of carbon nanotubes, applications.

Radio-activity and Nuclear Reaction: Characteristics of nuclear reactions and their similarity with chemical reactions, nuclear reactors, types of nuclear reactors, classification of reactors, fission probability, process yield and applications and fall out, units and measurement of radioactivity and radiation, activation analysis, 14C dating, tracer technique, radiochemical analysis.

Group D

Cement: Manufacture, composition of cement, Portland cement, types of cement, concrete, additive, hydration process. Ceramics: Types of ceramics, glass, structural characteristics, glass transition temperature, composition, production and application, optical fibres, electrochromism, photochromism.

Zeolites: Molecular sieves, zeolite aluminosilicate, structure of zeolites, synthesis of zeolites, applications of zeolites, composition and properties of zeolites, zeolites as shape selective heterogenous catalyst.

Intercalation Chemistry: Types of intercalation compound, graphite intercalation compounds, layered silicate structures, applications.

One Dimensional Conductors: Polythiazyls (polymeric sulphur nitride), structural characteristics, stacked columnar complexes.

Isopolyanions and Heteropolyanions: Structural characteristic, variation of composition with pH value.

Organic Chemistry

Group A

Macromolecular Chemistry: Introduction to macromolecules, type of polymerization, mechanism of chain growth polymerization, step growth polymerization, co-ordination polymerization, macromolecule of industrial importance (functional polymers, biomedical polymers (contact lens, dental polymers, artificial heart, kidney, skin and blood cells, special properties of large molecules (in terms of difference in behavior on heating, solubility pattern of low molecular weight compound and a polymer, reactions of polymer, stereoisomerism).

Supramolecular Chemistry: Introduction to supramolecular chemistry, concepts of supramolecular chemistry, examples of supramolecular compounds, uses, synthesis of Crown ethers and their uses, inclusion compounds.

Alicyclic Compounds: Synthesis of small rings (3-4 membered ring), medium sized rings (5-7) and large rings (above 8 members), structure elucidation and synthesis of muscone and civetone.

Group B

Stereochemistry:

Structure and symmetry: Symmetry introduction, symmetry elements, symmetry operators, symmetry points groups, point groups containing chiral molecules, point groups containing only achiral molecules, point groups corresponding to the platonic solids Td, Oh, Ih.

Racemization and Methods of Resolution:

Recemization process: Thermal racemization, by anion formation, by cation formation, racemization via stable inactive intermediates, by chemical transformation, epimerization, mutarotation, and asymmetric transformation, acid catalyzed and base catalyzed processes, racemization of amino acids.

Racemates: Properties of racemates (m.p., solubility, vapour pressure), IR-spectra, NMR, chromatograph aplical activity, Interaction with other chiral substances, biological properties, determination of enantiomer and diastereomer composition (isotope dilution method, kinetic method, NMR Methods based on diastereotopicity, NMR in chiral solvents).

Resolution: Chemical separation of enantiomers via diastereomers (tartaric acid resolution, resolution of α,β- unstaturated ketones, optical activation of menthone), separation via complexes and inclusion compounds, asymmetric transformations of diastereomers, general methods for the separation of diastereomers, kinetic resolution, enzymatic resolution, Cram’s and Prelog’s rule.

Group C

Heterocyclic Compounds: Introduction to heterocyclic compounds, reactions, synthesis and uses of oxirane, aziridine, azetidine, imidazole, thiazole, isoquinoline, indoles.

Carbohydrates: Disaccharides (determination the structure of maltose and sucrose), Introduction to oligosaccharides and polysaccharides.

Natural Product Chemistry: Introduction, scope of natural products chemistry, sources of natural products, extraction procedure, phytochemical screening

Group D

Separation Techniques: Types of chromatography, theory of chromatography, instrumentation and applications of TLC, column chromatography, gas chromatography, HPLC, GC-MS, LC-MS.

Spectroscopic Techniques: Theory and application of IR, UV, Mass, 1H- and 13C-NMR.

Spectroscopic Analysis: Use of spectroscopic techniques in structure elucidation of simple organic compounds.

Physical Chemistry

Group A

Solid State Chemistry: Chemical bonding in solids, lattice energies of ionic solids, structure of solids, determination of crystal structures, factors affecting crystal structure; classical free electron theory of metals, electrical conductivity, Ohm’s law, WidemannFranz ratio, heat capacity, conduction electrons, drawbacks of classical free electron theory; solid surfaces: surface forces, surface structure & surface composition.

Group B

Electrified Interfaces: Electrification of an interface; potential difference across electrified interfaces; accumulation and depletion of substances at an interface (concept of surface excess, determination of surface excess); thermodynamics of electrified interfaces (electo-capillary curve, Lippmann equation); quantitative treatment of electric double layer models (Helmholtz-Perrin, Gouy-Chapman, Stern, specific adsorption and complete-capacity models); structure of semiconductor-electrolyte interface: some in situ and ex situ techniques for studying electrified interface.

Group C

Chemistry of Surfaces & Colloids: Adsorption: Practical adsorbent materials; activated carbon and carbon molecular sieves; forces and energies of adsorption; calculation of heat of adsorption; adsorption at low coverage-Henry’s law

Review lecture of Langmuir, Freundlich and BET adsorption isotherms; derivation of isotherms equation from Gibbs equation; adsorption mixtures; extended Langmuir model; Langmuir-Freundlich equations; Dubinin Polanyi theory; ideal adsorption solution theory; other model isotherms and their comparison.

Colloids: Importance of colloids and colloidal phenomena; mechanism of colloidal formation; roots of colloidal behavior; ground rules for colloidal stability; sources of colloidal stability; steric stabilization; coagulation kinetics; association colloids (micelles, vesicles and membranes); correlation between surfactant structure, environment and micellization.

Group D

Thermodynamics: Thermodynamic properties of solution: partial molar quantities; Gibbs-Duhem equation; chemical potential; chemical potential of pure substance; chemical potential of real gas and fugacity and its determination; chemical potential in ideal gas mixture; thermodynamics functions of mixing; properties of liquid solutions; colligative properties.

Non-equilibrium thermodynamics: limitations of classical thermodynamics, steady state or stationary state, principle of non-equilibrium thermodynamics; Onsager’s reciprocity relations; entropy: production its rate in chemical and electro-chemical reaction; thermoosmosis; electro-kinetic phenomenon.

Research Methodolgy in Chemistry

Group A

Distinctive Concept: Definition of research, importance of research, motivation in research, research methodology and research methods, purpose of research, classification of research, types of research, research approaches, research process, research design, scientific method of research.

Comparative Concepts: Comparative idea of research methodology, social sciences and natural sciences, physical sciences and biological sciences, different branches of chemistry e.g. inorganic, organic, physical, analytical, fundamental and applied field research, library research and laboratory research, research methodology in different areas of chemistry.

Literature Survey: Chemical literature (Chemical Abstracts Beilstein and chemistry journals), primary and secondary sources of chemical information eg journals, reviews, monographs, text books, modern techniques in chemical literature search e.g. use of internet, INSDOC, computers, software programs, etc., identification of research problem and proposal writing.

Group B

Tools and Techniques used in Research: Solvents, purification of solvent, drying agents, reagents, reagent preparation, special lab techniques and experimental setting., grades of reagent, cost factors, hazards due to chemicals, apparatus and reaction procedure, vacuum line technique, handling of air sensitive compounds and hazardous chemicals, chromatographic techniques, spectroscopic techniques, chemical and physical techniques, high and low pressure techniques, techniques to study fast reaction, high and low temperature techniques, use of non-aqueous solvents.

Analysis of Research Finding: Analysis involved in data base research findings e.g., sampling, precision, accuracy, reproducibility, checking reproducibility of results, deviation, standard deviation, regression analysis, confidence limit, data analysis through computers, simple program development in chemical research, interpretation skill regarding spectroscopic data e.g. UV, IR, 1HNMR, 13CNMR, Mass, GC-MS and X-raycrystallography and different chromatograms.

Research Paper, Report and Thesis Writing: Format development, penmanship: variation in the format of report writing, drilling exercise in report writing and paper writing, citation of the references, bibliography.

Term paper in Chemistry

The students have to write and submit a term paper in the 2 nd Semester on the topic provided by supervisor selecting at least five recent research papers published in peer reviewed chemistry journals. The format of the term paper and submission date will be provided by Central Department of Chemistry/Campuses.

Master chemistry Third Semester syllabus

Inorganic Chemistry

Inorganic Reaction Mechanism (601)

Group A

Inorganic Reaction Mechanism A: Introduction, kinetics, and mechanism: review on transition state theory, reactants, products, activated complex, activation energy, intermediate species, endothermic and exothermic reaction, nucleophiles, crystal field stabilization energy (CFSE).

Reaction mechanism of type dissociative reaction mechanism and associative reaction mechanism, five coordinate intermediate and seven coordinate intermediate, labile, inert, introduction to redox reaction and ligand substitution reaction in metal complexes.

Redox Reaction: Electron transfer reaction, atom transfer reaction, electron tunneling mechanism, experimental results, inner and outer sphere mechanism (evidence for electron transfer), effect of ions on the rate, complementary two equivalent exchange, 42 electron transfer through extended bridge, crystal field effect, Frank Condon principle, Marcus theory, orbital symmetry in electron transfer, photochemical reactions.

Inorganic Photochemistry: Redox reactions of metal complexes in excited states. Excited state electron transfer example using [Ru(bipy)3] 2+ and related complexes. Role of spin orbit coupling, lifetimes of excited states in these complexes.

Group B

Inorganic Reaction Mechanism B:

Ligand Substitution Reaction: Introduction, operational approach to classification of substitution mechanisms, stoichiometric mechanism, intimate mechanism.

Ligand Substitution Reaction in Octahedral Complexes: Nature of substitution reaction, theoretical approach of substitution mechanism: inorganic nucleophilicity scales, the effect of electronic structure of central atom; kinetic application of crystal field theory: mechanism of substitution reaction of complexes of Co(III): (a) acid hydrolysis, (b) -bonding dissociation reaction of octahedral complexes (c) base hydrolysis of Co(III) complexes (d) substitution without breaking the metal ligand bond, racemization-reaction.

Ligand Substitution Reaction in Square Planar Complexes: Reactions of Pt(II) complexes: the trans effect, trans effect theories (polarization theory, pi-bonding theory, molecular orbital theory for σ and pi trans effect).

Mechanism of Substitution: Kinetics of substitution reactions of Pt(II) complexes: trans effect, cis effect, effect of leaving group, effect of charge, steric effect, solvent effect, effect of nucleophiles, effect of catalyst on substitution reaction by Pt (II) complexes.

Group C

Determination of Stability Constants: Introduction of thermodynamic stability constant or formation constant of metal complex, overall stability constant, stepwise stability constant, stoichiometric stability constants.

Basic Principle: Kinetic and equilibrium approach, determination of concentration variables (total concentration, free concentration, secondary concentration variables), determination of η, calculation of free ligand concentration “a”, properties involving intensive factors.

Methods for the Determination of Stability Constant of Mononuclear Complex: Job’s method of continuous variation for the determination of stability constant, Yoe Jone’s molar ratio method for the determination of stability constant, Bent and French method for the determination of stability constant, determination of concentration variables using competitive reaction; BAH system adopted by J. Bjerrum, Calvin and Wilson.

Experimental Methods for the Determination of Stability Constant: Potentiometric method, paper chromatographic method.

Spectral Techniques in Inorganic Complexes: Mossbauer spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, electronic spin resonance (ESR) spectroscopy, nuclear quadrupole resonance (NQR) spectroscopy.

Group D

Inorganic Polymers:

Introduction: Homopolymers, heteropolymers, elemento-organic polymers: homosubstituted, heterosubstituted and hybrid polymers, addition polymerization, condensation polymerization, coordination polymerization, organometallic polymers.

Silicon Polymers:

Silicones: Introduction, preparation, properties, a brief description of various types of silicones (silicone fluids, silicone rubber, silicone resins, higher polymer organosiloxanes etc.) and uses of silicones. Polysilanes, silicon carbides. Phosphorous Polymers: Condensed phosphates: metaphosphates, polyphosphates, long chain polyphosphate and cross linked phosphates, phosphorous nitrogen polymers (phosphonitrilic polymers).

Sulphur Polymers: Tetra sulphur tetra nitride, polythiazyls.

Applications of inorganic polymers

Selected Topics in Inorganic Chemistry (CHE-602)

Group A

Inorganic Cage and Cluster and Compounds:

Cluster and Cage Compounds: Introduction, structure and bonding of boron hydrides, molecular orbital description of bonding in boron hydrides.

Heteroboranes: Carboranes, metalloboranes, metallocarboranes.

Chemistry of Boranes: Synthesis of boron hydrides.

Cluster Compounds: Clusters and catalysis, molecular structure of clusters, stereochemical non-rigidity in clusters, dynamic nuclear magnetic resonance spectroscopy, structures of clusters with - acid ligands, metal carbonyl clusters, lownuclearity (M3 and M4) clusters, isoelectronic and isolobal relationship, high nuclearity carbonyl clusters (HNCC), electron counting scheme for HNCC, HNCC’S of Fe, Ru and 46 Os group, Co, Rh and Ir group and Ni, Pd and Pt group, Polyhedral Skeleton Electron Pair Theory (PSEPT) or Wade’s Rule, the capping principle, structures not rationalized by the PSEPT model, halide clusters, synthesis of metal clusters, electron precise compounds and their relation to clusters, Polynuclear zintl anions and cations.

Group B

Solid State Material Chemistry: Synthesis of materials, defects and ion transport, solid electrolytes, solid oxide fuel cells, metal oxides, nitrides, fluorides, higher oxides and complex oxides, oxide glasses, chalcogenides, intercalation compounds and metal rich phases, chevrel phases and chalcogenide thermoelectrics. Framework structure, structure based on octahedral and tetrahedra. Hydrides and hydrogen storage materials, other inorganic hydrogen storage material. Inorganic pigments, Semiconductor chemistry, Group 14 semiconductors, semiconductor system isoelectronic with silicon. Superconductors, molecular material and fullerides, molecular magnets, inorganic liquid crystals.

Group C

Organometallic Chemistry A:

Reviews on Organometallic Compounds: Introduction, classification based on the polarity of M-C bond, factors governing formation of C-H bonds, thermodynamic and kinetic stability of organometallic compounds, stability towards oxidation, stability towards hydrolysis.

Preparative routes for metal-carbon bond formation, miscellaneous methods of the preparation of the organometallic compounds.

Organometallic compounds of transition elements, sigma-bonded organometallics, compounds with 1 electron ligand, compounds with 3 electron ligands, compounds with 5 electron ligands, pi-bonded organometallics, compounds with 2 electron ligands, compounds with 4 electron ligand, compounds with 6 electron ligand, fluxinal organometallic compounds.

Group D

Organometallic Chemistry B:

Synthetic and catalytic aspects of organometallic chemistry, use of organo lithium, organo magnesium, organometallics of Zn, Cd, Hg in synthesis, use of organo copper, 47 use of organo palladium compounds in synthesis. Homogenous and heterogenous catalysis involving organometallic compounds. Importance of transition metal in catalysis. Hydrogenation, hydroformylation (‘oxo’ process), Wacker process, use of Zeigler Natta catalyst, Fischer-Tropsch synthesis. Biological application and environmental aspects of organometallic chemistry.

Inorganic Chemistry Seminar (603b)

General instruction for the seminar: Students should collect at least five papers from peer reviewed journals published within last ten years. They will select one major peer reviewed paper of their choice to present in the seminar. Total time allocated for seminar must be 15 minutes including discussion.

Physical Chemistry

Quantum Chemistry & Statistical Mechanics (CHE-604)

Group A

Basics of Quantum Mechanics: Review of postulates of quantum mechanics; time dependent Schrödinger wave equation; poisson bracket and commutator bracket; orthonormal basis; closure relation; linear independence; linear operators; vector interpretation of wave function; linear vector space; theorems of vector spaces; matrices and quantum mechanics; transmission coefficient of a particle from a potential barrier; quantum mechanical tunneling and its applications; quantum mechanical virial theorem and its applications; Heisenberg’s uncertainty principle; Heisenberg equation of motion

Group B

Harmonic Oscillator: Harmonic oscillator (eigen value, wave function; selection rule and calculation); significant of zero point energy; recursion relation; Hermite polynomials.

Quantum Theory of Angular Momentum and Rigid Rotator: Review of classical angular momentum; commutation properties of the angular momentum operators; angular momentum in spherical polar coordinates; ladder operators; eigenvalues of and ; rigid rotator (eigen value, wavefunction, selection rule and calculations).

Group C

Approximate Solutions to Schrödinger Equation: Variation method (Rayleigh-Ritz method) and its applications (particle in a box, hydrogen and helium atom); mass polarization effect; secular determinant; perturbation theory for nondegenerate (Rayleigh-Schrödinger and variational methods) and degenerate states; time-dependent perturbation theory and its application in time-domain spectroscopy; application of perturbation theory (He and Stark effect).

Hartree and Hartree-Fock Self-Consistent Field Method: Hartree and Hartree-Fock self-consistent field methods; density matrix analysis of the Hartree-Fock approximation; matrix solution representation of the Hartree-Fock equations (Roothaan’s equations).

Introduction to molecular Structure: Born-Oppenheimer approximation, molecular Hartree-Fock calculations.

Group D

Statistical Mechanics: Review lecture of phase space and ensemble; Liouville’s theorem, statistical equilibrium; postulates of equal probability; principle of equipartition of energy.

Quantum statistics: Introduction; Bose-Einstein statistics; statistics and condensation; thermodynamic properties of ideal Bose-Einstein gas; Fermi-Dirac statistics; degenerate Fermi gas; comparison of Bose-Einstein; Fermi-Dirac and Maxwell-Boltzmann statistics; application of quantum statistics.

Partition function: Translational; rotational; vibrational and electronic partition functions; Gibbs paradox; Sackur-Tetrode equation; applications of partition functions to specific heat of ideal gas; solid and chemical equilibrium.

Advanced Solid State Chemistry

CHE-605

Group A

Imperfections in Solids: Defects in solids; point defects: vacancy in elemental solids; Schottky defects in ionic crystals; self-interstitial in elemental solids; Frenkel defects in ionic solids; interstitial impurity in metals, vacancy through alliovalent impurity in ionic solids; charge compensation in ionic solids; color centers; diffusion in solids: mechanism, steady and non steady state diffusions, affecting factors for diffusion; ionic conductivity and super ionic conductivity.

Group B

Electrons in Solids: Quantum mechanical free electron theory; Fermi energy and Fermi distribution function; density of states; band theory; the hole concept; semiconductors; extrinsic semiconductivity and temperature variation of electrical conductivity.

Solid State Reactions: Wagner’s theory; oxidation of metals; kinetics of oxide film growth and photographic process.

Group C

Super Conductivity: Occurrence of superconductivity; Meissner effect; BCS-theory of superconductivity; high temperature superconductivity; critical field and critical currents; organic superconductors and fullerenes, new superconductors, applications of superconductors.

Preparation of Materials: Crystal growth: general consideration; growth from vapor; growth from melt; growth from solid-state reaction; crystallization from solution; materials purification: zone refining.

Group D

Advanced Materials Chemistry: Introduction; classification of materials; Composition
and microstructure of iron-carbon alloys: formation of ferrite; austenite and cementite
phases in iron with iron-iron carbide phase diagram; microstructure development in iron-carbon alloys;

Phase transformations: basic concepts; kinetics of phase transformations; micro-structural and property change in iron-carbon alloys with isothermal and
continuous cooling transformation diagrams; mechanical behavior of iron-carbon alloys.
Some solid materials of importance: semiconductor devices: p-n rectifying junction;
transistor; microelectronic circuitry; integrated circuit of aluminum; capacitors; magnetic
storage devices; shape-memory alloys; carbon nano-tubes; light-emitting diodes; optical fibers in communications.

Physical Chemistry Seminar

CHE-606b

General instruction for the seminar: Students should collect at least five papers from peer reviewed journals published within last ten years. They will select one major peer reviewed paper of their choice to present in the seminar. Total time allocated for seminar must be 15 minutes including discussion

Organic Chemistry

Organic Synthesis

CHE-607

Group A

Extensive Study and Applications Modern Synthetic Reactions:
a. Reduction
b. Oxidation
c. Halogenation and alkylation
d. Acylation, aldol condensation and related reactions

Group B

Organic Synthesis: Types of synthesis (classical, rational, partial, total, commercial);
nature of synthesis (laboratory, asymmetric, stereoselective, chemo and regio-selective,
chiral, biomimetic, symmetry based synthesis, biosynthesis and biogenesis, ideal or
perfect synthesis).
Synthetic Tools and Reagents: synthetic planning and synthetic design; the principles of
synthesis, synthetic process & steps in synthesis; carbon framework construction and
functional group modification; key intermediates; starting materials; linear & convergentapproach; relay approach, blocking groups, protecting groups, masking groups.

Group C

Modern Synthetic Concepts: Retrosynthetic analysis and disconnection approach, basic
principles,one group disconnection and two group disconnection, synthon and synthetic equivalent, retron and transforms, reversal of polarity, functional group interconversion, order of events in organic synthesis, amine synthesis, and control in carbonyl condensation.
Total Synthesis of Compounds: Tropenone, Cholesterol, Longifolene, Penicillin,
Prostaglandin E2 and Taxol

Group D

Organometallics in Organic Synthesis: Synthetic uses of organometallic compounds
obtained from boron, silicon, selenium, copper and transition metals.
Metathesis Reactions: Introduction to metathesis, type of metathesis reaction, Schrock’s and Grubb’s catalysts, catalytic cyclic mechanism, reaction scope and condition, synthetic applications.
Pd-Catalyzed Cross Coupling Reaction: Cross-coupling reactions, Pd-catalyzed cross coupling reactions, mechanism, Heck, Negishi and Suzuki Pd-catalyzed cross-coupling reactions and their mechanism, synthetic applications.

Organic Reaction Mechanism

CHE-608

Group A

Aliphatic Nucleophilic Substitution: Introduction and review,reactivity, the effect of
substrate structure, the effect of attacking nucleophile, the effect of the leaving group, the effect of reaction medium phase transfer catalysis and ultra sound, ambident
nucleophiles, regioselectivity, eight mechanisms of ester hydrolysis, typical reactions
with mechanisms.
Aromatic Nucleophilic Substitution: Review, reactivity, the effect of substrate
structure, the effect of the leaving group, the effect of the attacking nucleophile, typical
reactions with mechanisms.
Aromatic Electrophilic Substitution: Review, orientation in benzene rings with more
than one substituent, orientation in other ring systems, quantitative treatments of
reactivity in the substrate, the selectivity relationship, the effect of the leaving group, typical reactions with mechanisms.
Aliphatic Electrophilic Substitution: Review, electrophilic substitution accompanied by
double bond shifts, reactivity effect of substrate, effect of leaving group, effect of solvent, typical reactions with mechanisms.

Group B

Free Radical Substitution: Review, mechanisms at an aromatic substrate, reactivity for
aliphatic substrate, reactivity in aromatic substrate, reactivity in the attacking radical, the
effect of solvent on reactivity, typical reactions with mechanisms.
Addition to Carbon–Carbon Multiple Bonds: Review, orientation and reactivity –
reactivity, orientation, stereochemical orientation, typical reactions with mechanisms.
Addition to Carbon–Hetero Multiple Bonds: Review, mechanism and reactivity,
typical reactions with mechanisms.
Rearrangements: Review, nucleophilic rearrangements, the actual nature of the
migration, migratory aptitudes, memory effects, longer nucleophilic rearrangements, free radical rearrangements electrophilic rearrangements and reactions involving carbon to oxygen migrations, typical reactions with mechanisms.

Group C

Reactive Intermediates: Carbenes, structure and generation, Bamford-Stevens reaction, Seyferth and coworker’s method, trihalocarbonyl reaction, proplysis of the salts of trihaloacetic acid, reaction of RLi with alkyl halide, Simmons Smith reaction structure, conversion of singlet to triplet state, stererospecific and nonsterospecific reactions of
triplets, insertion reactions, halomethylation, problems.
Nirenes: Generation- Rearrangement, migration to carbon, migration to nitrogen, stereospecific and nonstereospecific reactions, insertion reaction, fragmentation reactions, problems.
Ylids and Related Chemistry: Generation of phosphoniummethylides, phosphonatecarbanion and their reactions, generation of sulfonium and sulfoxoniummethylide and their reactions,sulphur- ylide.

Group D

Conservation of Orbital Symmetry: Pericyclic reaction, conservation of electrocyclic reactions, stereochemistry molecular orbital symmetry, symmetry control of electrocyclic reactions, sigmatropic reactions, examples of the stereochemistry of sigmatropic reactions, and alternate qualitative molecular orbital approach (Frontier molecular orbital
method).
Classification of cycloaddition process, orbital symmetry and cycloaddition, concerted vs.nonconcertedcycloaddition, π2 + π2 cyloaddition, π2 + π4 cyloaddition, diene component of the Diels-Alder reaction, dienophile-reactivity, stereochemistry of the Diels–Alder reaction.

Organic Chemistry Seminar

CHE-609b

General instruction for the seminar: Students should collect at least five papers from peer reviewed journals published within last ten years. They will select one major peer reviewed paper of their choice to present in the seminar. Total time allocated for seminar must be 15 minutes including discussion.

Elective Paper

Food Chemistry

CHE-610

Group A

Recent development in food chemistry and its scope in food technology, chemical composition of food and classification, food as source of nutrients, moisture in food, Physical properties of water and ice, sorption phenomena, types of water free and bound water, water activity and its significant, solution and the colloidal state in food.


Carbohydrates: glycosides, action with alkali upon sugar, reducing action of sugar in alkaline solution, colour reaction of carbohydrate, sugar derivatives of biological
importance.


Disaccharides: Properties and uses of maltose and lactose. Polysaccharides: homopolysaccharides: structure and properties of cellulose and starch, refining process of starch from dent corn, gelatinization, retrogradation of starch, modified starch and their application, manufacture of glucose syrup (corn syrup), structure, general properties and industrial applications of glycogen, dextrin and insulin.


Heteropolysaccharides: constituents and differences between cellulose and hemicellulose, partial structure of wheat flour hemicellulose, gums and mucilages, classification of gums, some important gums and their chemistry (gum arabic, guar gum), seaweed polysaccharides (agar, alginates, carageenan), chemical modification (cross–linking, substitution with stabilizing functional group and cleavage)


Vitamins: Introduction, water soluble vitamins: thiamin (vitamin B1), riboflavin (vitamin B2), ascorbic acid (vitamin C): Physiological role in human body, deficiency, diseases, functions, recommended dietary allowances (RDA) and loss in food processing,fat soluble vitamins: vitamin A (retinol), vitamin D (calciferol): Physiological role in human body, deficiency, diseases, functions, recommended dietary allowances (RDA) and loss in food processing.
Minerals: occurrence, minerals in plant products, minerals in meat, metal up taken in canned foods, biochemical functions and nutritional aspect of the major salt components in terms of functions, deficiency problems and excess amount: sodium (Na) and nickel (Ni).

Group B

Pectin: occurrence, chemical structure, classification, role of pectolytic enzymes, theories of gel formation and uses of pectin (e.g. Jam, Jelly and marmalades), Jelly grade, setting time.


Proteins: essential amino acids, chemical properties, peptide bond (geometry), zwitter ion, isoelectric point, colour reaction (ninhydrin reaction, biuret test, xanthoproteic reaction, Maillon reaction), synthesis of simple peptide (general chemical method), denaturation, estimation of protein by Kjeldahl method and formal titration (Sorensen method), meat proteins constituents, ageing of meat (rigor mortis), tenderization of meat (proteases), milk protein composition, wheat protein composition and leavening character.

Pigments and Color: natural pigments, occurrence and chemistry of chlorophyll, carotenoid, flavonoids and anthocyanin, effect of processing or during cooking of these pigments.


Synthetic Color: coal tar dye, safety and regulation, permitted food color, food drugs and cosmetic act (FDC).


Adulteration of Food: adulteration of food with suitable common examples such as oil, sugar, honey and milk, some examples of analytical methods of detection, basic principle of food preservation: traditional and synthetic food preservatives.

Group C

Enzymes: modern concept of mechanism of enzyme reaction, activity of food enzymes in different foods, blanching, application of enzymes in the food industries (amylase, proteases, lipase, glucose-oxidases), inhibition: competitive and non-competitive inhibition, Immobilized enzymes.
Lipids: introduction, identification of natural fats and oils, Phospholipids, role of phospholipids in biological system, photooxidation of lipids, flavor reversion, structure, properties and uses of lecithin, refining of vegetable oil, hydrogenation of vegetable ghee and margarine, rancidity types (oxidative rancidity and hydrolytic rancidity), mechanism and preventive measure of rancidity (using synthetic and natural antioxidants).


Browning in Foods: browning reaction, enzymatic browning, prevention of enzymatic browning, non-enzymatic browning types (maillard browning, caramelization and ascorbic acid browning), mechanism and method of prevention, food additives: introduction, a) non-nutritive sweetener (aspartame, saccharin, cyclamate, dihydrochalcon. b) emulsifier-principle giving with suitable examples c) stabilizer and thickening agent-their function with suitable examples d) antioxidants-natural and synthetic antioxidants with their mechanism of prevention e) natural colorants-caramel, lycopene, curcumin, crocin (saffron).


Flavour and Texture: sensation of taste and odour, substances with taste, flavour compounds (terpenoids, flavonoids, sulphur compounds, flavor inhancer (monosodium glutamate MSG), synthetic flavoring substances, texture improving additives, applications to food particularly with reference to fruits.

Natural Products Chemistry

CHE-611

Group A

Background and character of natural product chemistry, history and reference of natural products chemistry, definition and classification of natural products based on chemical, physiological activity and taxonomy, phytochemical techniques, extraction, isolation, purification and characterization of natural products.


Primary and secondary metabolism: Introduction, biogenesis of natural products, fatty acid biosynthesis, biosynthesis of polyacetylenes.


Biosynthetic Techniques: Introduction, isotopic labeling by radioactive isotopes and stable isotopes, enzyme and mutant.

Biosynthesis of the following:
Polyketides: Introduction, formation of poly β-keto acyl CoA’s.
Terpenes and steroids: Introduction, steroids, pentacyclictriterpenes, squalenes, carotenoids, VitA.
The shikimic acid pathway: Introduction, quinines, coumarins and flavonoids.
Alkaloids: Introduction, morphine and related alkaloids.

Nuclear Chemistry (CHE-612)

Group A

Nucleonics: Elementary particles and their classification, mass and charge of quarks, particles and anti-particles, quark-gluon interaction, properties of nuclei, size, shape and angular momentum of nucleus, principle and radial quantum numbers, nuclear parity and nuclear statistics, nuclear models- shell model, liquid-drop model and collective model.

Hot Atom Chemistry: Molecular disruption, Szilard-Chalmer’s reaction, primary and secondary retention, different models for explaining recoil effects, thermal and gamma annealing.

Group B

Nuclear Reactions: Reaction cross-section, conservation in nuclear reactions, the compound nucleus theory, specific nuclear reactions due to neutrons, protons, deuterons, tritons, alphas and heavy ions, photonuclear reactions and transuraniens, symmetric and asymmetric fission and fission products, thermonuclear reactions, fission reactors, steller energy and cold fusion.

Radiation Biology: Biological effects of radiation, genetic effects of radiation, maximum permissible dose, effects of radiation in DNA and its constituents, nuclear magnetic resonance imaging (MRI) in medical diagnosis.

Group C

General Radiochemistry: Isotope exchange reactions, coprecipitation, colloids and adsorption of radioisotope, isotope dilution analysis, physical and chemical isotope effects.

Radiation Chemistry: Interaction of radiation with matter, dosimetry, radiolysis of water, radiolysis of benzene, autoradiolysis, time scale of radiolytic events, radiation hazards, classification of radiotoxicity, safety standards, radioactive waste disposal, environmental radioactivity.

Spectroscopy

Group A

NMR Spectroscopy: 1H-NMR: The spinning nuclei, chemical shift and its measurement, factors affecting chemical shifts, anisotropic effect and shielding mechanism, interpretation of protons spin-spin coupling, coupling constant, simple, virtual and complex coupling, chemical and magnetic equivalence, first and non-first order spectra, analysis of AB, AMX and ABX systems, simplification of complex spectra and NOE deuterium exchange, hindered rotation and rate process, NMR studies of other nuclei e.g., 19F, 31P, 15N and 11B. Application in structural determination of simple organic and inorganic molecules; 13C-NMR: General introduction, peak assignments, chemical shift, 77 13C1H coupling, off-resonance decoupling, deuterium, fluorine and phosphorus coupling, NOE and DEPT, 2D NMR, application to simple organic and inorganic molecules.

Electron and X-ray Spectroscopy: Electron spectroscopy- principle and applications of electron energy loss spectroscopy (EELS) and auger electron spectroscopy (AES); X-ray spectroscopy- principle and applications of X-ray fluorescence spectroscopy (XFS), Xray absorption spectroscopy (XAS) and energy dispersive X-ray spectroscopy (EDS).

Group B

Infrared-Spectroscopy: Microwave Spectroscopy, stark Effect in microwave spectroscopy, linear harmonic oscillator, vibrational energies of diatomic molecules, zero point energy, force constant and bond strength, Morse potential energy diagram, vibration rotation spectroscopy, P, Q, R branches, break down of Born-Oppenheimer approximation, selection rules, overtones, hot bands, absorption by common functional groups, brief description of IR and FTIR instruments, application to metal-ligand vibrations/complex compounds, problems related to IR spectroscopy.

Electronic Spectroscopy: Different type of electronic transitions, Lambert’s Beer’s law, chromophores, auxochromes, solvent effect, red and blue shifts, Woodward’s rule for conjugated cyclic and acyclic dienes and α, β–unsaturated carbonyl compounds, fluorescence and phosphorescence, spectra of transition metal complexes, charge transfer spectra, oscillator strength and intensity of the electronic transition, principle and applications of circular dichroism spectroscopy and time resolved spectroscopy problems related UV-Visible spectroscopy, absorption in aromatic compounds: substituted benzene, naphthalene and anthracene.

Scattering Spectroscopy: Principle and applications of traditional Raman spectroscopy, surface enhanced Raman spectroscopy (SERS), coherent anti-stoke’s Raman spectroscopy (CARS).

Group C

Electron Spin Resonance Spectroscopy: Basic principle, factor affecting value, isotropic and anisotropic hyperfine coupling constant, g-Value, application to organic free radical, methyl free radical, naphthalene and benzene free radicals, CID NP, application of ESR in organic, inorganic and organometallic chemistry. 78 Mossbauer Spectroscopy: Theory, instrumentation, applications, isomeric shift, nuclear quadrupole coupling and hyperfine interaction, problems related to Mossbauer spectroscopy.

Mass Spectrometry: Instrumentation, mass spectra and molecular structure, fragmentation patterns in mass spectra, qualitative and quantitative analysis with mass spectrometry, measurement technique (El, Cl, FD and FAB), structure elucidation using mass Spectroscopy, GC-MS, laser mass spectrometry, electron spray ionization mass spectrometry, determination of molecular composition of organic compounds from mass spectra data.

Biochemistry (CHE-614)

Group A

Introduction: Definition, and scope of biochemistry.

Cell: Structural composition and functions of the prokaryotic cell, comparison of plants and animals cell and structural composition and metabolic functions of cell organelles, biological membranes, integral proteins of membrane, lipoproteins and trafficking through membrane, molecular logic of living organism.

Biomolecules: Structure, classification, physical and chemical properties in biochemical aspects, and function of proteins, carbohydrates, amino acids, lipids, nucleic acids, vitamins.

Enzymes: Definition, introduction, classifications and reactions, nomenclature, structure, isolation and purification and functions of enzymes, enzyme assay and activity, coenzymes and cofactors, isoenzymes, pro-enzymes, multienzyme complexes and tandom enzymes, regulation of enzyme activity: effects of pH, substrate, enzyme concentration, temperature, cofactor and additives, mechanism of enzyme action, enzyme specificity, active sites, covalent modification, kinetics of catalyzed reaction, MichaelisMenten equation and its limitation, Briggs Haldane relationship. Inhibition of enzymes immobilized enzyme, applications of enzymes in clinical, foods, agriculture and environment.

Nucleic Acids: Structure and function of purine and pyrimidine nucleotides, codons and codon dictionary, type ribonucleic acids (RNA) and structures, structural composition of deoxyribonucleic acid (DNA), Watson and Crick model of DNA, Chargaff’s rule. Biosynthesis of DNA (replication), biosynthesis of RNA (transcription), and biosynthesis of protein (translation), sequencing and organization of genome, mutation, DNA drugs interaction.

Group B

Bioenergetics: Concept of standard free energy of reactions, relationship between equilibrium constant and standard free energy change, biological standard state and standard free energy change in coupled reactions, biological oxidation-reduction reactions and potentials, the importance of couple process in leaving things, high energy biomolecules, high energy phosphate compounds introduction, phosphate group transfer, free energy of hydrolysis of ATP and sugar phosphates.

Metabolism: Concept of metabolism, nutritional importance, digestion, absorption and transportation mechanism of activation of digestive enzymes.

Carbohydrate Metabolism: Carbohydrates source, chemistry, digestion, absorption, intestinal transport, glycolysis, HPM shunt, TCA cycle, glycogenolysis, glycogen synthesis, metabolism of sugar other than glucose, regulation of blood glucose level, 81 gluconeogenesis, biosynthesis of disaccharides, glycoproteins, glyoxylate cycle, and metabolic regulation.

Amino acid Metabolism: Dynamic equilibrium of body protein, nutritional and metabolic importance of amino acids, catabolism of amino acids, metabolism of few individual amino acids, one- carbon fragment amino acids as biosynthetic precursor, urea cycle and metabolic diseases.

Lipid Metabolism: Concept of metabolism, nutritional importance, absorption, transportation, biosynthesis and degradation of simple and complex lipids, metabolism regulation, abnormalities in lipid metabolism.

Nucleotide Metabolism: Biosynthesis and degradation of purines and pyrimidines and their nucleotides, their interconversion and regulation, salvage pathway, regulation of biosynthesis of deoxyribonucleotides from ribonucleotide, abnormalities of purines and pyrimidines.

Group C

Microbial Biochemistry: Structural composition of gram positive and gram negative bacteria, structures and characteristics of bacterial protein toxin, basic concept of virion, prinos, lytic cycle, lysogeny and plasmid.

Biochemical Techniques: Principle and applications of centrifugation techniques, gel filtration chromatography, gel electrophoresis, optical rotatory dispersion, circular dichorism and X-ray diffraction techniques, gene transfer methods: electroporation and particle gun, MALDI-TOF technique, introduction of transgenic animals and plants.

Analytical Chemistry (CHE-615)

Group A

Introduction: Analytical chemistry and chemical analysis, classification of analytical methods.

Selecting the Method: Factors to consider in choosing a method, performance criteria for methods to determine analyte in samples with the complex matrix, reason for incorrect analytical results, analytical validation.

Sampling Process: Types of sample, sampling plan, quality of sample, sub-sampling, sample registration and storage.

Measurement and Reporting: Good laboratory practices, calibration of measurements, record management, charting and reporting results. Analytical Chemometrics: Propagation of measurement uncertainties (inaccuracy and imprecision). Useful statistical test: test of significance, the F test, the student ‘t’ test, the chi-test, the correlation coefficient, confidence limit of the mean, comparison of two standard values, comparison of standard deviation with average deviation, comparison of mean with true values, significant figures, regression analysis (least square method for linear and non-linear plots), statistics of sampling and detection limit evaluation.

Karl-Fisher Titration: Stoichiometry of the reaction, preparation of the reagent, titration method, standardization of the reagent using water-in-methanol, determination of water in samples, interference and their elimination, application to quantitative analysis of some organic compounds-alcohols, carboxylic acids, acid anhydrides and carbonyl compounds

Group B

Non-Aqueous Titrations: Acid-base titrations in non-aqueous solvents-classification of solvents, leveling and differentiating solvents, acidic and basic titrants, methods of titration, titrations in glacial acetic acid and ethylene diamine, applications of nonaqueous titrations.

Gravimetric Analysis: Formation and treatment of precipitates, co-precipitation, homogeneous precipitation, important precipitating agents and their significance in inorganic analysis.

Analytical Extraction Techniques: Aqueous extraction, solid phase extraction, solid phase micro-extraction, microwave assisted extraction, supercritical fluid extraction.

Group C

Hyphenated Techniques: Need for hyphenation, interfacing devices and applications of GC-MS, GC-IR, MS-MS, HPLC-MS, ICP-MS, ICP-OES.

Chemical Sensors: Principles, classification of chemical sensors, description of chemical sensors, optical sensors, calorimetric sensors, mass sensors, humidity sensors, biosensors

Fourth year Chemistry Syllabus

Inorganic Chemistry

Bio-Inorganic Chemistry (CHE-651)

Group A

Bio-Inorganic Chemistry:

Metal Complexes as Oxygen Carriers: Hemoglobin and myoglobin, non-porphyrin oxygen carriers, hemerythrin and hemocyanin and model compounds.

Biochemistry of Iron Metal Complexes: Ferritin, transferin, siderophores for storage and transfer and model compounds.

Group B

Electron Carrier Proteins: Ferredoxins and rubredoxins, blue copper proteins, cytochrome and model compounds. Photosynthesis: Chlorophyll and the photosynthetic reaction center and model compounds.

Group C

Metalloenzymes: Carboxypeptidase, carbonic anhydrase oxidases, vitamin B12 and the B12 coenzymes, nitrogenases and model compounds.

Dioxygen Involved in Enzymes: Tyrosinase, methane monooxygenase, dioxygenase, ribonucleotide reductase and model compounds.

Group D

Metal Based Drugs: Anticancer activity of Sn, Ru, Pt, Ga, Ti complexes, medicinal value of Au complexes, other metal compounds as drug. Sensors.

Transport of metal ions in biological Systems, ion pumps, ionophores, nucleic acid and metal interactions

Structure and Bonding in Complexes (CHE-652)

Group A

Ligand Field Spectra of Octahedral Complexes: Energy states from spectral terms, Selection rules, La Porte’s rule, spin selection rule, band intensities, factors affecting bandwidth, effect of temperature on absorption spectra, splitting diagrams: splitting for d 1 , d9 , and high spin d4 and d6 , splitting for d2 , d3 , d8 and high spin d7 , high spin d5 , noncrossing rule, Tanabe-Sugano diagrams, correlation diagrams, Racah parameter, energy 87 level calculations, spectra of d1 -d 6 ions, spectra of second and third row transition elements, lowering of symmetry, effects of lowering symmetry, charge transfer bands.

Group B

Molecular Orbital Description of Bonding: Bonding in octahedral complexes, bonding in tetrahedral complexes, quantitative calculation of 10Dq, effects of π bonding, Elementary group theoretical treatment for sigma bonding and π bonding in octahedral complexes, comparison of the different approaches to bonding in co-ordination compounds.

Abnormal Valency: Unusual oxidation states: Metal ions in low and high oxidation states, Factors affecting the stabilization of abnormal valencies, Preparation of complexes of metal in zerovalent state, stabilization of oxidation states and π bonding, stabilization of low oxidation states through coordination, Ligands which stabilize both low and high valent states.

Group C

Magnetic Properties of Complex Ions: The theory of magnetic susceptibility, the magnetic properties of free ions, quenching of orbital angular momentum by ligand fields, the magnetic properties of A and E terms, the magnetic properties of T terms, the magnetic properties of complexes with A and E ground terms, the magnetic properties of complexes with T ground term, spin-free-spin-paired equilibria.

Group D

Important Complexes of Gr VIIB, Gr VIII and Actinide Elements:

Group Discussion: Chemistry of Gr. VIIB (7) Technetium and Rhenium: Oxidation states and stereochemistry: Important compounds: oxides and sulphides, halides, multiple bonded dirhenium and ditechnitium compounds, oxo compounds and complexes.

Chemistry of Gr. VIII Platinum Group Metals (Ru, Os, Rh, Ir, Pd, Pt): Review on occurrence and general remarks and extraction on the chemistry of platinum metals. Important compounds: Ruthenium and Osmium Group VIII (8): Oxidation state, coordination number and geometry, oxo-compounds of ruthenium (Ru) and osmium(Os), 88 halide complexes, complexes of nitrogen donor ligands, nitric oxide complexes, tertiary phosphine and related complexes, lower oxidation states, Grubb’s catalyst.

Rhodium and Iridium Group VIII (9): General remarks: Stereochemistry, oxidation states, coordination number and stereochemistry, complexes of Rh (I) and Ir (I), complexes of Rh (II) and Ir (II), complexes of Rh (III) and Ir (III), complexes of Rh (IV) and Ir (IV), palladium and platinum Group VIII (10): oxidation state, coordination number and stereochemistry, complexes of Pd (II) and Pt (II), complexes of Pd (IV) and Pt (IV), mixed valence and linear chain compounds, complexes of Pd (III) and Pt (III), complexes of Pd and Pt in low oxidation state.

Actinide Element: Occurrence, separation and general properties, general chemistry of the actinides: occurrence, survey of oxidation state, actinide ions in aqueous solution, complexes and stereochemistry of actinide elements, organometallic chemistry of actinide elements, chemistry of individual elements, uranium and thorium, the transuranium elements Np, Pu and Am, the trans-americium elements, the super heavy elements.

Inorganic Chemistry Dissertation

Course Contents: Research work on a topics provided by the supervisor.

General Guidelines for M. Sc. Dissertation in Chemistry: The student will work on a research problem and will generate results by independently conducting inorganic 92 chemistry experiments and analyzing the data. The student is expected to find out some novel finding in his/her research work and write a dissertation on a format prepared by the Central Department of Chemistry, Tribhuvan University. The student will defend his/her finding in an open oral examination.

Physical Chemistry

Advanced Electrochemistry and Corrosion Science (CHE-655)

Group A

Electrode Kinetics: Introduction; charge transfer and its chemical and electrical implications; charge transfer under zero field; electron transfer under an interfacial field, equilibrium exchange current; non-equilibrium drift current; overpotential; basic electrodic equation: Butler-Volmer equation, some general and special cases; low and high field (Tafel plot and its applications and limitations) approximations, physical meaning of symmetry factor; polarizable and non-polarizable interfaces; Nernst equation; multistep electrode reactions; rate determining step and energy barrier for multiple step reaction; order of electrodic reaction; determination of reaction mechanism of iron deposition and dissolution; mass transfer to electrode surface; microscopic theories of charge transfer -Marcus microscopic model.

Group B

Technologically Interested Electrochemical Processes: Semiconductor electrode: Current-potential curves at semiconductor electrodes; photo-effects at semiconductor electrodes, photo-electrochemical cells: some photo-electrochemical phenomenon (splitting of water, reduction of CO2, waste removal and surface photo-catalytic process); prospects of photo-electrochemical solar cell; Electrochemical energy conversion: Introduction; present situation of energy consumption and global concern on environment; concept of hydrogen energy and hydrogen economy; efficiency of an electrochemical energy convertor, condition for maximum efficiency, fuel cells (types, details on polymer electrolyte, direct methanol fuel and solid oxide fuel cells);

Electrochemical energy storage: Introduction, capacity of battery: energy density and power density, details on lead-acid, zinc-manganese alkaline, metal-hydride and Li-ion batteries, charge-discharge of a battery, Ragone plot, super-capacitor (introduction, types and prospects); Electro-catalysis: introduction, common types of electro-catalyst, electrocatalyst for hydrogen evolution, oxygen reduction and methanol oxidation reactions; design of electro-catalysts; Electro-deposition: introduction, various steps in electrodeposition, deposition to crystallization, effect of overpotential.

Group C

Corrosion Science: Review lecture of definition, importance and types of corrosion; electrochemical mechanisms of corrosion: electrochemistry of corrosion cell, electrochemical theory of corrosion; heterogeneous; homogeneous and mixed-potential 94 theories; corrosion current and corrosion potential; corrosion tendency of metallic substances: potential-pH diagrams for water and M/H2O systems; applications of potential-pH diagram for corrosion and its control with reference to Fe/H2O systems; steel corrosion in different corrosive media reference with the potential-pH diagram; advantages & limitations of the potential-pH diagram; corrosion kinetics: at equilibrium and under polarization; Evans diagram and corrosion kinetics, corrosion estimation methods.

Group D

Corrosion Control and Passivation: General methods of corrosion control: environmental factors; design of corrosion-resistant metallic materials; materials selection; corrosion coatings with reference metallic and non-metallic coatings; corrosion inhibitor: types; mechanism of corrosion inhibitor; cathodic protection: principles; advantages; limitations and comparison of impressed-current and sacrificial anode techniques; anodic protection: principle; advantages & limitations.

Passivation of metallic materials: Definition; polarization & passivity; stability & Flade potential; factors for passivation; theories of passivation: oxide-film formation; adsorption and other theories.

Electrode Techniques for Corrosion Kinetics: Introduction; potential step and potential sweep methods, controlled-current method (potential-time curves); hydrodynamic electrodes: introduction; principle, advantages and limitations of rotating disk and rotating ring electrodes.

Molecular Spectroscopy (CHE-656)

Group A

Rotational and Vibrational Spectroscopy: Review on rotational and vibrational spectra; Rotational spectra: quantum mechanical results on rigid rotator; Stark effect; rotational spectra of symmetric top and asymmetric top molecules; non-rigid rotator, energy levels and spectrum; Vibrational spectra: vibrational energies of diatomic molecules, zero point energy, force constant and bond length, calculation of bond lengths, dissociation energies, anharmonic oscillator, energy levels diatomic vibrating rotator, vibration of polyatomic molecules, overtones and hot bonds, P, Q and R branches, application of vibration spectra in elucidation of molecular structure from vibrational frequencies.

Group B

Raman Spectroscopy: Techniques and instrumentation; pure rotational and Raman spectra: symmetric and asymmetric top molecules; vibrational Raman spectra: Raman activity of vibration; overtone and combination vibrations; rotational fine structure; vibration of spherical top molecules; structure determination by Raman and infrared spectroscopy. Electronic Spectroscopy: Observed intensity distribution in absorption; wave mechanical formulation of Franck-Condon principle; electronic transitions; singlet and triplet states; fluorescence and phosphorescence; dissociation and pre-dissociation; calculation of electronic transitions of polyenes using free electron model (particle in a box).

Lasers, Laser Spectroscopy and Photochemistry: Population inversion and three level systems, components of laser, high resolution laser spectroscopy, pulsed laser and dynamics of photochemical processes.

Group C

Nuclear Magnetic Resonance Spectroscopy: Theory of NMR spectroscopy; energies of nuclei in magnetic fields; NMR-spectrometer; relaxation process in NMR; chemical shift and affecting factors; spin-spin coupling; coupling constant and affecting factors; nuclear overhauser effect (NOE); Fourier transform NMR and its advantages; NMR spectra of simple molecules. Multinuclear Solid-State NMR Spectroscopy: 29Si NMR spectroscopy: broadening, relaxation and structural effects; 29Si NMR chemical shifts in Si-O compounds and its applications for silicate glasses, gels and cements identification; 27Al NMR spectroscopy: introduction, chemical shifts in 27Al NMR spectra and its applications for aluminium oxides, amorphous aluminium compounds and cement identification.

Group D

Electron Spin Resonance Spectroscopy: Introduction; basic principles and magnetic interactions; instrumentation and signal generation; quantitative analysis; modern ESR techniques: electron nuclear double resonance (ENDOR) and pulsed ESR; applications of ESR in molecular sieve science.

Mössbauer Spectroscopy: Introduction; principle; Lamb Mössbauer factor; Mössbauer nuclides; parameters for Mössbauer spectra: isomer shift, quadrupole shifting, magnetic splitting and time-dependent effects, relaxation and dynamics; some applications of Mössbauer spectroscopy

Physical Chemistry Dissertation

Course Contents: Research work on a topics provided by the supervisor.

General Guidelines for M. Sc. Dissertation in Chemistry: The students will work on a research problem and will generate results by independently conducting Physical Chemistry experiments and analyzing the data. The student is expected to find out some novel finding in his/her research work and write a dissertation on a format prepared by the Central Department of Chemistry, Tribhuvan University. The student will defend his/her finding in an open oral examination

Organic Chemistry

Organic Stereochemistry (CHE-659)

Group A

Configuration: Relative and absolute configuration, determination of relative configuration of saturated aliphatic compounds ( chemical interconversion not affecting 102 bonds to the stereogenic atom, correlation via compounds with chiral centers of two types, chemical correlations affecting bonds to a chiral atom in a known way, correlation by stereoselective synthesis of known stereochemical course. Determination of configuration of cis-trans isomers (chemical methods, physical methods), interconversion of cis-trans isomers (photochemical isomerization, directed cis- transinterconversion.

Conformation of Acyclic Molecules: conformation of ethane, butane and other simple saturated acyclic molecules, conformation of unsaturated acyclic compounds, physical and spectral properties of diastereomers and conformers (dipole moment, b.p., refractive index, density, IR spectra, NMR spectra), conformation and reactivity.

Group B

Configuration and Conformation of Cyclic Molecules: stereoisomerism and configurational nomenclature of ring compounds (symmetry based method), Stability of cyclic molecules, strain, ease of cyclization as a function of ring size, ease of ring closure as a function of the ring atoms and substituents, conformational aspects of the chemistry of six membered ring compounds, mono, di- and polysubstitutedcyclohexanes, The Thorpe – Ingold Effect Balwin’s Rules, conformation and reactivity in cyclohexanes, chemistry of three and four membered rings, rings larger than six membered, concept of I-strain.

Stereochemistry of Fused Rings: Hydrindanes, decalin, perhydrophanenthrene and perhydroanthracenes, bridged rings, Bredt’s rule and bridge head alkenes, cryptands, crown ether, podands and spherands, paddlanes and propellanes, atenanes, rotanances, knots and Mőbius strips, synthesis of cubane, adamantane, tetrahedrane, dodecahedrane and Buckminster fullerene.

Group C

Stereoselective Synthesis: diastereoselective synthesis of achiral compounds (cyclanes, stereocontrolled synthesis of E-alkene derivative via alanes and (E,E) farnesol convergent synthesis), diastereoselectivesythesis based on chiral substrates- (addition of nucleophileFelkin transition states for addition of a nucleophile to cyclohexanone, eletrophilic reactions of alkenes- alkylation of a cyclohexylideneenolate anion, the aldol reaction, catalytic hydrogenation free radical addition), enantioselective synthesis (chiral organometal complexes, catalysis by chiral bases, enzyme based processes, enantioselectivedeprotonation of cyclohexanone derivatives) enantioconvergent synthesis via the Claisen rearrangement

Group D

Chiroptical Properties: Optical activity, anisotropic refraction (origin, theory, optical rotatory dispersion), circular dichrosim, anisotropic absorption, application of optical rotatory dispersion and circular dichroism (determination of configuration and conformation), saturated ketones (the octant rule)

Chiralty in Molecules Devoid of Chiral Centers: Introduction and nomenclature, allenes, synthesis of optically active allenes, determination of configuration, cyclic allenes, alkylidenecyclohexanes, spiranes, biphenyl (atropisomerism), biphemyls and other atropisomers of the sp2 – sp2 single bond type, configuration of biphenyls and binaphthyls, molecular propellers, molecules with planar chirality (cyclophanes and annulenes).

Organic Spectroscopy

Group A

Ultraviolet Spectroscopy: Introduction, theory, sample handling, characteristic adsorption of organic compounds, compound containing only σ electron, saturated compound containing n electrons and compound containing π electron, chromophores, auxochromes, bathochromic shift and hypsochromic shift, rules for predicting the position of absorption of homo- and heteroannuler systems, problems.

Infrared Spectroscopy: Introduction, theory, coupling interaction and hydrogen bonding, instrumentation, dispersion IRspectrometer, fourier transform infrared spectrometer, sample handling, interpretation of spectra, characteristic group adsorption of organic molecules, normal alkane, branch chain alkane, cyclic alkanes, cyclic alkanes, alkenes, alkynes, aromatic hydrocarbon, alchohol, phenol, ether, epoxide, peroxide, ketones, aldhydes, carboxylic acids, ester, acid halides, carboxylic acid, amide, amine etc, problems.

Group B

NMR Spectroscopy (Nuclear Magnetic Resonance Spectroscopy): 1H-NMR: Introduction, CWNMR spectroscopy, relaxation (longitudinal and transverse), pulse FT1H-NMR spectrometry, and rotatory frame of reference, instrumentation, sample handling, chemical shift, simple spin coupling, protons on heteroatoms, proton on an oxygen atom, nitrogen and sulfur, coupling of protons to other nuclei, chemical shift equivalence and magnetic equivalence, determination of chemical shift equivalence by interchange through symmetry operation, tagging and interconversion of structure, magnetic equivalence, AMX, ABX and ABC systems with the coupling constants, strongly and weakly coupled spin systems, effect of a chiral center, nuclear Overhauser effect, shift reagents and problems. 13C-NMR spectroscopy: Introduction, peak assignments, off resonance decoupling, chemical shifts of alkane, alkene, alkyne, aromatic compound, hetero aromatic compound, alcohol, ether, halide, amide etc., chemical shift equivalence, spin coupling ( 1H 13C J values), DEPT spectrum, and problems.

Group C

New Dimensions in NMR: Introduction, 1H1H connectivity, Homo J-resolved 1H1H spectroscopy, correlated spectroscopy (COSY), 1H13 connectivity, J- resolved 1H 13C spectroscopy (HET 2DJ), heteronuclear chemical shift correlation (HETCOR), 13C13C connectivity, NOE difference spectrum (1-D) and the NOESY (nuclear Overhauser and exchange spectroscopy) (2-D), ROESY, HMBC, HMQC, and problems.

Group D

Mass Spectrometry: Introduction, mass spectrum, instrumentation, magnetic field only, double focusing (electrostatic and magnetic field), quadrupole mass filter, quadrupole ion storage, time of flight, and MS/MS (Tandem Mass Spectrometry), determination of molecular formula, unit mass molecular ion and isotope peaks, high resolution molecular ion, recognition of molecular ion peak, other useful ionization techniques (CI, FD, FAB, ESI, MALDI), use of molecular formula and index of hydrogen deficiency, fragmentation, hemolytic cleavage and heterolytic cleavage, rearrangements, hydrogen transfer, McLafferty and random, mass spectra of some chemical classes (hydrocarbon, hydroxy compounds, ether, ketone, aldehyde, amine, amide, halogen compound etc.), problem solving.

Organic Chemistry Dissertation

Course Contents: Research work on a topics provided by the supervisor.

General Guidelines for M. Sc. Dissertation in Chemistry: The students will work on a research problem and will generate results by independently conducting Organic 110 Chemistry experiments and analyzing the data. The student is expected to find out some novel finding in his/her research work and write a dissertation on a format prepared by the Central Department of Chemistry, Tribhuvan University. The student will defend his/her finding in an open oral examination

MSc. Chemistry syllabus, Msc Chemistry TU syllabus

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