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Syllabus
CY43015 Principles of Organic Synthesis (3-0-3 5) Prerequisite Nil Methods for Carbon-Carbon bond formation, use of organometallic reagents, Ring forming Reactions, Baldwin’s Rules, Umpolung and functional group manipulations, protecting groups. Asymmetric Synthesis: Chemical and Enzymatic Approaches.
P-component: Perkin Reaction of Salicyldehyde, Cannizaro Reaction of Furfural, Synthesis of: o-Iodobenzoic acid, Benzilic acid and m-Nitrobenzoic acid.
CY43017 Instrumental Methods of Chemical Analysis (3-0-6 7)Prerequisite Nil
The basic theory, instrumentation, laboratory techniques and analytical applications of the following: X-ray Diffraction methods, UV-Vis, IR spectroscopy and Raman Spectroscopy, Fluorescence and Phosphorescence methods, NMR and ESR spectroscopy, Thermoanalytical methods, Mass spectrometry and Cyclic Voltammetry. Chromatographic techniques.
P-component: Identification of functional groups and structural analysis by IR, UV and NMR spectroscopy. Spectroscopic based quantitative analysis of organic and inorganic compounds. Selected experiments involving TGA, DSC and Fluorescence Spectroscopy.
CY40019 Quantum Chemistry (3-0-0 3)Prerequisite Nil
Approximate methods of quantum chemistry: variational principle; LCAO approximation; Huckel Theory; Time-independent perturbation theory. Many electron atoms: Orbital approximation, Slater determinant; Hartree-Fock selfconsistent field theory; Slater type orbitals. Angular momentum of many-particle systems. Spin orbital interaction; LS and JJ coupling. Spectroscopic term symbols for atoms. Molecules and Chemical bonding: Born-Oppenheimer approximation, MO and VB theories illustrated with H2-molecule; Spectroscopic term symbols for diatomics; Directed valence & hybridization in simple polyatomic molecules. An elementary treatment of scattering theory.
CY40021 Inorganic Chemistry: Principle, Structure and Reactivity (3-0-0 3) Prerequisite Nil Bonding models in s,p,d and f elements; CFT, MOT. Acids, bases, HSAB. Non-aqueous solvents. Coordination chemistry:electronic spectra, NMR and EPR spectra, IR and mass spectra, structure and magnetic properties.Principles of coordination chemistry related to bioinorganic chemistry:Thermodynamic and kinetic aspects. Inorganic chains, rings, cages and clusters. Boron cage compounds, carboranes and metal clusters. CY49001 Inorganic Chemistry Laboratory Prerequisite Nil 1. Qualitative analysis of mixture of Cations (containing not more than 4 cations) and anions by spot test only. 2. Preparation, characterization and quantitative analysis of the following compounds: a) Tris-ethylenediaminecobalt(III) chloride and optical resolution of the isomers. Measurement of specific rotation by a polarimeter. UV-VIS study. Estimation of Cobalt. b) Tris(2,4-pentanedionato)manganese (III), measurement of magnetic susceptibility by Gouy method and Evans method. Use as oxidising agent in organic transformation. Estimation of Manganese. c) Dibenzyltin(IV)chloride, and its N,S-donor complexes. 1H, 13C NMR characterization. Discussion of anticancer properties. d) Bisoxalatoiron (II)and production of nanoparticle of metallic iron thereof. e) Vanadyl phosphate dihydrate VO(PO4)(H2O)2. Powder XRD, IR studies. Use of as catalyst in alcohol oxidation. f) Isolation of Buckminsterfullerene from Soot. UV, IR, Cyclic Voltammetry studies. g) Separation of cobalt and nickel on an anion exchanger. .
CY43006 Structure and Functions of Biomolecules (3-0-3 5) Prerequisite Nil Biomolecules: Proteins, enzymes, vitamins and coenzymes; carbohydrates and lipids, nucleic acids. Principles of enzyme inhibition, implications in drug design. Principles of bioenergetics. Metabolism and biosynthesis of fatty acids, proteins, nucletides and related molecules. Information Pathways: genes and chromosomes, Regulation of gene expressions. Recombinant DNA Technology: cloning and PCR, their applications. Supramolecular chemistry and Abzymes.
P-component: Isolation, purification and characterizations of proteins and nucleic acids, SDS-PAGE and agarose gel electrophoresis, estimation of proteins, nucleic acids, cholesterol and sugar, enzyme inhibition studies, microbial growth and antibacterial assay.
CY40008 Symmetry, Spectroscopy and Reaction Dynamics (3-0-0 3) Prerequisite CY40019 Symmetry and point group; review of pure rotational and vibrational spectra of diatomic and polyatomic molecules; vibrational-rotational coupling; normal coordinate analysis, Fermi resonance; Raman spectroscopy of molecules; electronic spectra of molecules; Introduction to resonance spectroscopy - NMR, ESR, EPR; hyperfine interaction; photoelectron spectroscopy; Auger spectroscopy, EXAFS; EELS, SERS; nonlinear optical spectroscopy. Molecular basis of chemical reactions; relation beteen macroscopic and microscopic observables; potential energy surfaces and reaction dynamics; Statistical approach to reaction dynamics: Transition State theory, dynamics beyond the gas phase.
CY40010 Principles of Organometallic and Bio- Inorganic Chemistry (3-0-0 3) Prerequisite CY40021 Organometallic chemistry. Bonding models in sigma and pi-complexes. 18-electron formalism and isolobal principle. Basic organometallic reactions. Synthesis and reactivity of metal alkyls, carbonyls, alkenes, alkynes and metallocenes.
Bioinorganic Chemistry. The biochemistry of iron and copper:Dioxygen binding, transport and utilization in hemoglobin, hemocyanin and hemerythrin. Biological and synthetic dioxygen carriers. Metal-sulfide proteins:Ferredoxin and nitrogenases. Metalloporphyrins and Respiration:Cytochromes. Electron transfer and photosynthesis. Metalloenzymes: Carbonic anhydrase, carboxypeptidase and vitamin B12.
CY40012 Introduction to Polymer Chemistry (3-0-0 3) Prerequisite Nil Introductory concepts, definition, common system chemistry and classification of polymers, resins, rubber, plastics. Characterization: molecular weight studies and molecular weight distribution. Mechanistic aspects: addition, ionic, emulsion, suspension, aqueous, coordination, condensation polymerization. Relevant aspects of physical properties of polymer systems, rheological properties. Unit operations: calendering, extrusion and molding, fabrication processes, degradation and stabilization of polymer systems.
CY40014 Introduction of Computational Chemistry (3-1-0 4) Prerequisite Nil FORTRAN programming; Numerical methods. Basic understanding of theoretical and computational chemistry, methodologies and terminology
CY49002 Physical Chemistry Laboratory (0-0-6 4) Prerequisite Nil Activation energy of bromide-bromate reaction-CLOCK REACTION. Thermodynamic dissociation constant of a weak electrolyte. Molecular weight of a polymer. pH metric and conductometric titrations. Equilibrium in three component liquid systems. Standard electrode potential (Eo) of ferrocyanide-ferricyanide system. Determination of partial molal volume, indicator constant-spectrophotometrically, transport number by Hittorf’s method. Kinetics of solid. Kinetics of acid catalysis-polarimetric method; Kinetic salt effect staudy (persulfate-iodine reaction); CMC determination; Study of charge transfer complex; Effect of solvents, donor and acceptor on hydrogen bonding; Fluorescence quenching in a polar and nonpolar solvent. CY50031 Spectroscopic Methods for Structure Determination (3-0-0 3)Prerequisite CY43017 Applications of UV, FT-IR Mass and NMR spectroscopy in organic, inorganic and biological systems. Exercises on structure elucidation by joint applications.
CY50033 Solid State Chemistry (3-0-0 3)Prerequisite Nil Crystal structure of solids: Fundamental Types of lattices, Simple crystal structure, Glasses, Crystal diffraction by X-rays, neutrons and electrons, Atomic form factor structure factor and Integrated intensity, Experimental diffraction methods,. Defects: Band theory of solid, Brilloin Zones; Metals: Electrical, thermal and magnetic properties, Semiconductors: Intrinsic and extrinsic, Junction properties, Transistors, rectifiers, solar cells. Ferroelectric, Piezoelectric and pyroelectric materials. Ferromagnetic and antiferromagnetic and ferrimagnetic materials and their properties.
CY50035 Statistical Mechanics (3-0-0 3) Prerequisite Nil Introduction to statistical thermodynamics - postulates, microcanonical, canonical and grand canonical ensembles, partition function and thermodynamics, fluctuation, statistical mechanics of independent particles - degeneracy of energy levels and equilibrium distribution function in Maxwell-Bolzmann, Fermi-Dirac and Bose-Einstein statistics.
Statistical mechanics of mono-,diatomic and polyatomic ideal gas -contribution of rotation, vibration and translation to partition function, electronic contribution to the specific heat of diatomic gases. Solids - vibrational contribution to the specific heat of solids, Einstein-Born-Debye model.
Classical statistical mechanics - phase space, Liouville's theorem. Intermolecular interaction. Application to - imperfect gases, liquid structure, chemical equilibrium and phase equilibrium.
Electrochemical systems - effect of non-polar and charged solutes on the structure of water; formation of charge double layer near a charged electrode. Introduction to macromolecular solutions.
Transport properties in gases and condensed phases - kinetic theory of gases, diffusion in solution, transport in electrolyte solutions - Debye-Huckel Theory; Beyond the Debye-Huckel approximation - Debye-Huckel-Bronsted theory, Debye-Huckel-Onsager theory.
Dynamics of chemical reactions in solution - transition state theory using partition functions, non-Arhennius kinetics resulting from solvent effects. Electron transfer reactions in solution and at an electrode. Dynamic electrochemistry including fuel cells.
CY50037 Principles and Applications of Stereoselective Reactions (3-0-0 3) Prerequisite CY43015 Configuration and Conformation of Cyclic Molecules: Steroisomerism and Configurational Nomenclature of Ring Compounds, Determination of Configuration of Substituted Ring Compounds, Stereochemistry of fused, bridged and caged ring systems. Chiroptical Properties and Chirality in molecules devoid of Chiral Centers, Circular Dichroism, Sector and Helicity Rules, Exciton Chirality, Molecular Propellers and Gears, Molecules with planar Chirality and Cyclosteroisomerism. Aspects of stereoelectronic effects. Stereoselective Reactions: Terminology and Categories, enantio and diastereoselectivity, Chiron, Auxiliary, Catalytic and enzymatic approaches to stereoselective reactions.
CY59001 Organic Chemistry Laboratory (0-0-6 4)
Fractional distillation, Reduced pressure Distillation, Sublimation, Steam Distillation, Chromatography: Isolation of Eugenol from cloves, Preparation of Diacetone D-glucose, Tetraphenylcyclopentadienone from benzoin, Thiophthalide from ortho Toluic acid via photochemical bromination
Elective I
CY60001 Modern Concepts in Main Group Chemistry (3-0-0 3) Prerequisite Nil Molecular shapes in MG. Structure & Bonding in MG chemistry: Hypervalency, Multiple Bonding. Molecular Aggregation in MG: application of clusters, cages, rings. Coordination and Organometallic chemistry of Group 1 (Li, Na), 2 (Mg), 13 (B, Al, Ga, In), 14 (Si, Sn, Pb), 15 (P, As, , Sb, Bi), 16 (S, Se, Te). Fluorine Chemistry. Chemistry of Phosphazanes and phosphazenes. Organic Metals based on Group 16. Aluminosilicates and Catalysis. Main group and C-C bond forming reactions. Main group and olefin polymerization. Selenium Biochemistry.
CY60003 Organic Photochemistry and Pericyclic Reactions (3-0-0 3)Prerequisite Nil Excitation and Excited States. Inter and Intramolecular Reactions. Selected Pericyclic Reactions. Singlet Oxygen, Molecular Rearrangements; Topics from current Literature. CY60005 Drug Design and Development (3-0-0 3)Prerequisite Nil Approaches to Drug Design: Enzyme Inhibition, Molecular Recognition, Receptor Based Molecular Modelling, QSAR, Agonist and Antagonist. Examples of Designed Drugs: Antihypertensive, Antiviral, Anticancer and Antibiotic. Combinatorial Library and Highthrouput Screening.
CY60007 Chemistry of Natural Products (3-0-0 3)Prerequisite Nil
Chemistry of selected natural products. Special emphasis on the synthesis of steroids, terpenes, alkaloids, pheromones, prostaglandins, macrolides and polyether antibiotics. Selected topics from the current literature.
CY60009 Chemistry of Macromolecules (3-0-0 3) Prerequisite Nil Structure, property and types of macromolecules. Polymerization processes. Kinetics and molecular weight determination. Selected topics from current literature.
CY60011 Environmental Chemistry (3-0-0 3)Prerequisite Nil Genesis and evolution of biosphere. Current trends in ecology and pollution. Chemical treatment of pollutants including CFC and PCB, Ozone layer depletion, Global warming and Greenhouse effect, Selected topics from current literature.
CY60013 Advanced Bioinorganic Chemistry (3-0-0 3) Prerequisite Nil Overview of bioinorganic chemistry. Properties of biological molecules. Physical methods in bioinorganic chemistry. Choice,uptake and assembly of metal containing units in biology.Transition metal storage, transport and biomineralization. Electron-transfer proteins: Blue copper proteins, long distance electron transfer. Atom and group transfer chemistry in Fe and Mo:Cytochrome P450, methane monooxygenase, catechol and other dioxygenase, molybdenum oxotransferases. The frontiers of bioinorganic chemistry. Metal/Nucleic-acid interactions. Metals in medicine.
CY60015 Colloids and Surface Chemistry (3-0-0 3)Prerequisite Nil Colloidal state of matter. Properties of lyophillic and lyophobic colloidal solutions. Thermodynamics of electrified interface, stability of colloidal solutions: Theory of Verwey and Overbeek, colloidal electrolytes., polyelectrolytes. Donnan membrane equilibria. Determination of molecular weight of macromolecules. Micelles, reverse micelles. Surface energetics and adsorption from liquids. Emulsion, detergent, gels and foams.
CY60017 Chemical applications of Group Theory (3-0-0 3) Prerequisite Nil Symmetry and point groups: rotation, reflection, improper rotation, inversion, multiplications of symmetry operations. Character table, its use, representation of molecular orbitals. Chemical applications: molecular shapes, selection rules in spectroscopy, crystal field theory,molecular orbital theory spin-orbit coupling, stretching frequencies in IR and Raman spectroscopy. Woodward Hoffmann rules and symmetry.
Elective II and III
CY60002 Adsorption and Catalysis (3-0-0 3)Prerequisite Nil Adsorption equilibria,. Heterogeneous catalysis: surface area determination, kinetics, effect of poisons. Selected topics from current literature.
CY60004 Biophysical Chemistry (3-0-0 3) Prerequisite Nil Structures of biological macromolecules (proteins and polynucleic acids); Molecular Mechanics—simulating macromolecular structure; Spectroscopic (NMR, Fluorescence and Circular Dichroism) methods to study structure of proteins and DNA; solving macromolecular structures by X-ray diffraction; structural transitions in polypeptides, proteins and polynucleic acids. Interactions between macromolecules: thermodynamics of protein folding/stability by fluorescence and circular dichroism techniques. Binding of small ligands by biological macromolecules: kinetics and enertgetics of protein-drug, protein-surfactant and DNA-drug interactions by fluorescence, CD and calorimetric methods.
CY60006 Applications of Metal Complexes in Catalysis and Material Science (3-0-0 3) Prerequisite Nil
Catalysis: (i) Catalytic Reactions and the 16/18 VE Rule. (ii) Transition metal assisted valence isomerizations (iii) Isomerization of unsaturated molecules. (iv) Arylation/vinylation of olefins. (v) Alkene and Alkyne metathesis. (vi) Oligomerization and Polymerization. (vii) Olefin oxidation (viii) Hydrogenation of alkenes. (ix) Fischer-Tropsch reactions (x) The water- gas shift reactions. (xi) Carbonylation Reactions (Monsanto Acetic acid process and other reactions). (xii) Hydroformylation (xiii) Hydrocyanation. (xiv) Activation of C-H bonds in alkanes. (xv) Hydrosilylation and Hydroboration Reactions. (xvi) Oxygen transfer reactions. Chemical Vapor Deposition (CVD and MOCVD): (i) Metal Carbides. (ii) Metal Nitrides. (iii) Metal Borides. (iv) Metal Oxides (v) Metal Chalcogenides (vi) Semi-conductors (GaAs, ZnSe, CdTe, Cd1-xHgxTe etc.) (vii) Metal films
CY60008 Molecular Modeling Techniques and its Applications (3-0-0 3) Prerequisite Nil (1) Molecular mechanics :Bond stretch, bend, torsional angles, and non-bonded interactions
(2) Classical Molecular Dynamics (MD): (Newtonian dynamics, Integration algorithm, Periodic boundary conditions and minimum image convention, Potential truncation and shifted-force potentials, Neighbor list, Force calculations, Long range interactions, MD code for liquid Argon.) and shifted-force potentials, Neighbor list, Force calculations, Long range interactions, MD code for liquid Argon.)
(3) Classical Monte Carlo (MC): (Random numbers, Evaluating integrals using random numbers, Importance sampling, Metropolis algorithm, Smart MC techniques)
(4) Analysis of simulated trajectories: (Radial distribution functions, Self diffusion coefficient, Time correlation functions)
(5) Applications of modeling in Materials chemistry and biology.
CY60010 Specialized Topics in Quantum Chemistry (3-0-0 3) Prerequisite Nil SCF and DFT methods in quantum chemistry; Quantum mechanical treatment of scattering processes; selected topics from current literature.
CY60012 Synthesis and Processing of Ceramics (3-0-0 3)Prerequisite Nil Classification of ceramics and materials: crystal structures and properties. Elementary ceramic phase diagrams. Ceramic powder preparation from naturally occurring raw materials. Synthesis of ceramic powders, fabrication of ceramic bodies from powders: pressing, casting, vapour phase techniques, sintering, finishing, machining. Ceramic coatings CY60014 Medicinal Chemistry (3-0-0 3)Prerequisite Nil Current trends in the design, mechanism and metabolism of drugs. Selected topics from current literature.
CY60016 Newer Methods in Organic Synthesis (3-0-0 3)Prerequisite Nil Selected C-C, C-heteroatom bond formation reactions. Selected topics from current literature.
CY60018 Fundamentals of Fluorescence Spectroscopy (3-0-0 3)
Prerequisite Nil Introduction to fluorescence , fluorescence lifetime and quantum yields, fluorescence anisotropy, instrumentation fro fluorescence spectroscopy, fluorescence polarization, effects of solvents on fluorescence emission spectra, mechanism and dynamics of solvent relaxation, quencing of fluorescence, energy transfer, protein fluorescence, fluorescence lifetime of proteins, dynamics of protein revealed by fluorescence methods.
CY60020 Advanced Heterocyclic Chemistry (3-0-0 3)Prerequisite Nil Synthesis and reactions: indoles, azines, purines, pteridines,azoles, benzopyrimidines, compounds with oxygen and sulfur hetero atoms and small-ring heterocycles.Role of heterocyclic compounds in biological systems.
CY60022 Advanced Chemistry of Nucleosides (3-0-0 3) Prerequisite Nil Chemical synthesis of nucleosides and oligonucleotides; Biosynthesis of nucleotides; Covalent interactions of nucleic acids with small molecules; Nucleosides as antivirals; DNA and RNA; Antisense strategy. CY60024 Chemistry of Micelles (3-0-0 3) Prerequisite Nil Naturally occurring and synthetic surfactants and their purification; Physical & chemical properties of surfactants and micelles in aqueous solutions; Solubilization in aqueous micellar solutions, principles of micellar catalysis in aqueous solutions; Micellar effects on organic equilibrium and nucleophilic substitution reactions and on hydrophilic interactions and protein structure; Interactions by micelles in nonaqueous solvents and liquid crystalline phases; Macromolecular and related systems in micelle. CY60026 Recent Advances in Analytical Chemistry (3-0-0 3) Prerequisite Nil Applications of chemical analysis; Instrumental and classical analysis; Instrumental and classical method (a brief comparison); Factors affecting the choice of analytical methods; Fundamental theoretical principles of reactions in solution, Electro analytical methods of analysis; Spectrophotometry: Derivative spectrophotometry, Asmus method & zero crossing method. Small angle x-ray & neutron scatting and Luminescence method of analysis. Plasmon emission spectroscopy, Raman and Surface Enhanced Ramon Spectroscopy (SERS) in the field of analytical Chemistry. Method relating to single molecule detection. CY60028 Supramolecular Chemistry (3-0-0 3) Prerequisite Nil From molecular to supramolecular chemistry: factors leading to strong binding, hydrogen bonding and stacking interactions. Molecular models of biological receptors, biomimetic chemistry, design, synthesis and binding studies of synthetic receptors. Metal guided self assembly reactions, molecular knot with double helical complexes of Cu(I). Self assembly of polynuclear metal complexes. New molecular receptors: crown ethers, siderophores, cyclophanes, cyclodextrin and their application in specific recognition processes. Anion coordination chemistry and recognition. Supramolecular reactivity and catalysis, supramolecular devices. CY60030 Inorganic Photochemistry (3-0-0 3) Prerequisite Nil Excited states: excited states, decay, quantum yield, physico chemical laws. Examples of photochemical reactions: photochemical reactions of small molecules: NO, NO2, N2O, CO, O2, O3, SO2 etc.; mechanism and importance; photo redox substitution, isomerization, prompt and delayed reaction, metal bonded systems, solar energy conversion and storage, photo splitting of water by photo galvanic method and semi conductor electrodes. Metal ion catalysis of organic reactions: mechanisms and applications. CY60032 Chemical Bonding and Reactivity (3-0-0 3) Prerequisite Nil Valence bond theory; molecular orbital theory; Huckel theory; aromaticity; potential energy surfaces; Hammond postulate, Woodward-Hoffmann rule; crystal and ligand field theories; symmetry and symmetry adapted linear combinations; global reactivity descriptors: electronegativity, hardness, polarizability, electrophilicity index; local reactivity descriptors: local softness, Fukui functions and frontier orbital theory, molecular electrostatic potential and associated electronic structure principles.
CY60034 Advanced Chemical Dynamics (3-0-0 3) Prerequisite Nil
1) Transport properties in gases and condensed phases - kinetic theory of transport processes in dilute gases; theory of Brownian motion; transport coefficients from time correlation function formalism; transport in solids and electrolyte solutions. 2) Dynamics of chemical reaction in condensed phases – interactions between reactive molecules; hard sphere collision theory; transition state theory; Kramer's theory of reactions in solution; linear free energy relationships; unimolecular reactions; electron transfer reactions; biomolecular reactions; chaos in reaction-diffusion systems and fractal dimensions.
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