MASTER OF SCIENCE IN CHEMISTRY SYLLABUS FOR THE

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P a g e 1MASTER OF SCIENCE IN CHEMISTRYSYLLABUS FOR THECREDIT BASED CURRICULUMFROM 2011 ONWARDSDepartment of ChemistryNational Institute of TechnologyTiruchirappalli – 620 015

P a g e 2M. Sc. Chemistry 2011 onwardsCodeCourseSemester 1CH 601 Organic Chemistry: Reaction Mechanisms and Their TypesCH 603 Coordination Chemistry: Bonding, Spectra and ReactionsCH 605 Quantum Chemistry and Group TheoryCH 607 Analytical and Instrumental Methods in ChemistryCH 609 Organic Chemistry PracticalsCH 611 Analytical Chemistry PracticalsL T PC3333-- - - - - 6- 633332216Semester 2CH 602 Photochemistry and Pericyclic ReactionsCH 604 Organometallic ChemistryCH 606 Bio Inorganic ChemistryCH 608 Thermodynamics, Electrochemistry and KineticsCH 610 Inorganic Chemistry PracticalsCH 612 Physical Chemistry Practicals3333-- - - - - 6- 633332216Semester 3CH 613 Synthetic Organic ChemistryCH 615 Solid State, Nuclear and Main Group ChemistryCH 617 Statistical Thermodynamics Photochemistry and Surface ChemistryCH 619 SpectroscopyCH 621 Comprehensive Viva voceCH 623 Seminar: Review of Literature and Methodology33333---33333318333--8333Semester 4CH 614 M. Sc. Project and Viva voceELECTIVE IELECTIVE IIELECTIVE IIICH 616 BiochemistryCH 620 Computational ChemistryCH 624 Environmental ChemistryCH 628 Nano Science and TechnologyCH 632 Novel Inorganic CompoundsCH 636 Polymer ChemistryTotal minimum credits requiredCH 618CH 622CH 626CH 630CH 634CatalysisElectron SpectroscopyMedicinal ChemistryNatural Products ChemistryNuclear Chemistry1767

P a g e 3Semester 1CH 601- Organic Chemistry- Reaction Mechanisms and their typesReaction mechanism: Definition of reaction mechanism, transition state theory, kinetics,qualitative picture. Substituent effects, linear free energy relationships, Hammett equation andrelated modifications. Basic mechanistic concepts like kinetic vs thermodynamic control,Hammond postulate, Curtin-Hammett principle, isotope effects, general and specific acid-basecatalysis, and nucleophilic catalysis.Aliphatic Nucleophilic Substitution– reactivity, structural and solvent effects, substitution inSN1, SN2, SNi. Neighboring group participation -Norbornyl and bridgehead systems, substitutionat allylic and vinylic carbons, substitution by ambident nucleophiles, Aromatic nucleophilicsubstitution, SN Ar, benzyne, SN1. Aromatic Nucleophilic substitution of activated halidesAddition to carbon-carbon multiple bonds. Electrophilic, nucleophilic and free radical addition.Stereochemistry and orientation of the addition. Hydrogenation, Halogenation, hydroxylation,hydroboration. Addition to carbonyl compounds- 1,2 and 1,4-addition, benzoin, Knoevenegal,stobbe and Darzen glycidic ester reactions.Elimination Reactions: E1, E2, E1CB- mechanism, stereochemistry, orientation of double bondshof mann, zaitsev, Bredts rule-pyrolytic elimination, chugaev reaction. Oxidation and reduction:Reduction using hydride reagents, LiAlH4, NABH4 and other organoboranes: chemo - andstereoselectivity, Catalytic hydrogenation (homogenous and heterogeneous catalysts) Swern andDess-Martin oxidations, Corey-Kim oxidation, PCC, KMnO4 oxidations.Rearrangement reactions involving electron deficient, carbon, nitrogen, oxygen centers,emphasis on synthetic utility of these rearrangements. Baker–Venkataraman, Benzilic acid, [1,2]Meisenheimer, [2,3]-Meisenheimer, Wagner-Meerwein, Pinacol, Demyanov, Dienone-Phenol,Favorskii, Wolff, Hofmann, Curtius, Lossen, Schmidt, Beckmann, Benzidine, Hofmann-LofflerrearrangementsText Books:1. M. B. Smith, J. March, March‟s Advanced Organic Chemistry, John Wiley & Sons, 6th Edn,20072. R. R. Carey and R. J. Sundburg, Advanced Organic Chemistry, Part A and Part B, Springer,5th Edn, 2007References:1. Peter Sykes, A guide book to mechanism in Organic chemistry, Orient-Longmens, 6th Edn,1996.2. E. J. Eliel, Stereochemistry of Carbon Compounds, John Wiley, 19973. P. Y. Bruice, Organic Chemistry. Pearson Education, 3rd edition, 2006

P a g e 4CH 603 – Coordination Chemistry: Bonding, Spectra and ReactionsTheories of coordination compounds - VB theory - CFT - splitting of d orbitals in ligand fieldsand different symmetries - CFSE - factors affecting the magnitude of 10 Dq - evidence forcrystal field stabilization - spectrochemical series - site selection in spinels - tetragonal distortionfrom octahedral symmetry - Jahn-Teller distortion - Nephelauxetic effect - MO Theory octahedral - tetrahedral and square planar complexes - -Bonding and molecular orbital theory experimental evidence for -bonding.Electronic Spectra and magnetism: Microstates, terms and energy levels for d1 – d9 ions incubic and square fields - selection rules - band intensities and band widths - Orgel and TanabeSugano diagrams - Evaluation of 10 Dq and β for octahedral complexes of cobalt and nickel charge transfer spectra – electronic spectra of [Ru(bpy)3]2 - Magnetic properties of coordinationcompounds - change in magnetic properties of complexes in terms of spin orbit coupling temperature independent paramagnetism - spin cross over phenomena.IR and Raman spectroscopy: in the structural elucidation of simple molecules like N2O, ClF3,NO3-, ClO4- - effect of coordination on ligand vibrations - uses of group vibrations in thestructural elucidation of metal complexes of urea, thiourea, cyanide, thiocyanate, nitrate, sulphateand DMSO - effect of isotopic substitution on the vibrational spectra of molecules - Applicationsof Raman spectroscopy - resonance Raman spectroscopy,Reactions: Substitution reactions in square planar complexes - the rate law for nucleophilicsubstitution in a square planar complex - the trans effect - theories of trans effect - mechanism ofnucleophilic substitution in square planar complexes - kinetics of octahedral substitution - ligandfields effects and reaction rates - mechanism of substitution in octahedral complexes - reactionrates influenced by acid and bases - racemization and isomerization - mechanisms of redoxreactions - outer sphere mechanisms - excited state outer sphere electron transfer reactions inner sphere mechanisms - mixed valent complexes.Structure: Structure of coordination compounds with reference to the existence of variouscoordination numbers (2, 3, 4, 5 & 6) - site preferences - isomerism - distortion from perfectoctahedral symmetry - trigonal prism - absolute configuration of complexes - stereo selectivityand conformation of chelate rings - coordination number seven and eight.Text Books:1. J. E. Huheey, E. A. Keiter and R. L. Keiter “ Inorganic Chemistry, Principles ofStructure and Reactivity”, 4th Edition, Harper Collin College Publishers, 19932. F.A. Cotton and G.Wilkinson “ Advanced Inorganic Chemistry” 4th & 5th Editions, WileyInterscience, New York, 19983. R.S. Drago, “Physical Methods in Inorganic Chemistry”, 3rd Edition, Wiley Eastern, 1992.4. J. Lewis, R.G. Wilkins, “Moden Coordination Chemistry”, Inter Science Publisher, 1960.References:1. B. E. Douglas, H. Darl , McDaniel and J. J. Alexander, Concepts and Modelsof Inorganic Chemistry, John Wiley &Sons, Inc. 3rd Edn, New York, l994.

P a g e 52. D. F. Shriver, P. W. Atkins and C. H. Langford, „Inorganic Chemistry‟, OxfordUniversity Press, Oxford, l994.3. K. Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds Part A&Part B, 2nd Edn, Wiely. 2009CH 605 - Quantum Chemistry and Group TheoryQuantum Chemistry-I: The Failures of Classical Physics – Block Body Radiation-photoelectriceffect-Bhor‟s Quantum theory, Wave Particle Duality-Uncertainty Principle- Operator Algebra,Linear and Hermitian operators, Quantum mechanical postulates, Schrodinger equation and itssolution to the problem of a particle in one and three dimensional boxes.Quantum Chemistry-II: Quantum mechanical results for a rigid rotator and simple harmonicoscillator, Solution of Schrodinger equation for harmonic oscillator and rigid rotor. Schrodingerequation for hydrogen atom and its solution- derivation of Eigen function and Eigen value forhydrogen atom. Term symbols for electronic state in atoms –LS and JJ coupling. The origin ofelectronic quantum numbers and physical significance - radial probability density-significance ofmagnetic quantum number with respect to angular momentum.Quantum Chemistry-III: Hydrogen molecule ion and hydrogen molecule-Pauli's exclusionprinciple. Born Oppenheimer approximation, Mulliken designation of molecular orbitals.MO theory of bonding, and MO treatment of H-bonded systems, ethylene, butadiene andbenzene. Approximation methods; Perturbation and variation method, wave functions for manyelectron atoms –Hartres – Fock SCF method, Slater Orbitals.Group Theory-I: Elements of group theory, definition, group multiplication tables, conjugateclasses, conjugate and normal subgroups, symmetry elements and operations, point groups,assignment of point groups to molecules, Matrix representation of geometric transformation andpoint group, reducible and irreducible representations, construction of character tables, bases forirreducible representation, direct product, symmetry adapted linear combinations, projectionoperators. Orthogonality Theorem–Its Consequences.Group Theory-II: Symmetry aspects of molecular orbital theory, planar π-systems, symmetryfactoring of Huckel determinants, solving it for energy and MOs for ethylene and 1,4-butadiene,sigma bonding in AXn molecules, hybridization, tetrahedral, octahedral, square planner, trigonalplanar. linear, trigonal bipyramidal systems, hybrid orbitals as linear combination of AOs,electronic spectra, selection rule, polarization electron dipole transition, electronic transitions informaldehyde, butadiene, configuration interaction, vibrational spectra, symmetry types ofnormal molecules, symmetry coordinates, selection rules for fundamental vibrational transition,IR and Raman activity of fundamentals in CO2, H2O,N2F2, the rule of mutual exclusion andFermi resonance.Text Books:1. I. N. Levine, „Quantum Chemistry‟, 4th Edn., Prentice Hall India, 1994.2. A. K. Chandra, Introductory Quantum Chemistry, Tata McGraw Hill 1994.

P a g e 63. M. S. Gopinathan and V. Ramakrishnan, Group Theory in Chemistry, Vishal Publishers, 1988.References:1. D. A. McQuarrie, „Quantum Chemistry‟, University Science Books, 1983.2. F. A. Cotton, „Chemical Applications of Group Theory‟, 2nd Edn., Wiley Eastern Ltd., 1990.3. R. K. Prasad, Quantum Chemistry, TMH, 19954. P.W. Atkins, „Physical Chemistry‟, 6th Edn., Oxford University Press, 1998.CH 607- Analytical and Instrumental Methods in ChemistrySeparation Techniques: Solvent extraction methods -super critical fluids- Electrophoresis:theory and applications- Chromatography- Concepts-retention parameters and selectivityHPLC-theory and instrumentation - Ion exchange-Gel Permeation - Gas chromatography – basicinstrumental set up-carriers- columns- different detectors TCD, FID, ECD and NPD- CHNanalysis by GC- other elemental analysis methodsElectroanalytical methods: Electrogravimetry- Coulometry- applications- Ion-Selectiveelectrodes- immobilized enzyme electrodes and molecular selective electrodes-Polarography –current – voltage curve. Stripping voltammetry, DME- Construction-Half-wave potentialInstrumentation-Applications of Polarography. Pulse and differential pulse polarographyVoltammetry, Excitation signals in voltammetry, Amperometric titrations – Applications. Cyclicvoltammetry-Theory and applications.Atomic Spectra: Flame Emission and Atomic Absorption Spectrometer- Instrumentation ofAAS- the flame spectra, flame characteristics- Atomizers used in spectroscopy- Hollow cathodelamp- interference in AAS-applications- Atomic Emission Spectroscopy- DCP and ICP-MSsimultaneous multi element analysis.Instrumentation basics: Elementary electronics- semiconductors- semiconductor diodestransistors-mechanism of amplification- field effect transistors – transformers- rectifiers- voltageregulators-noise-signal-to –noise ratio- readout devices- cathode ray tube- Basic InstrumentationSources- monochromators- Sampling and transducers- single beam and double beaminstruments- UV- Vis Instrumentation- IR sources and Transducers -Michelson interferometer Beer-Lambert Law, Deviations, Applications- Photometric Titrations- Nephelometry andTurbidimetryThermal methods of Analysis: TG, DTA and DSC - Instrumentation and Theory. TG of coppersulfate pentahydrate and calcium oxalate monohydrate. Calculations of thermodynamicparameters. Labeling methods- Radio Immuno assays- ELISA test-immuno fluorescenceneutron activation analysisText Books:1. G. H. Geeffery etal., Vogel‟s Text Book of Quantitative Chemical Analysis, ELBS Edn, 19892. D. A. Skoog, D.M. West, F.J Holler, S.R Crouch , Fundamentals of Analytical Chemistry, 8th

P a g e 7edition, Thomson Brooks Cole , 2004References:1. F. Rouessac and A. Rouessac, Chemical Analysis: Modern InstrumentationMethods and Techniques, 2nd edn, John Wiely and Sons2. D. A. Skoog, E. J. Holler, S. R. Crouch , Principles of Instrumental Analysis, 6th edition,Thomson Brooks Cole , 20073. F. W. Fifield and D. Kealey, Principles and Practice of Analytical Chemistry, 2nd Edition,International Book Company, London, 19834. H. H. Willard, L.L. Merrit, J.A. Dean and F.A. Settle, Instrumental Methods of Analysis, D,CBS Publishers, New Delhi, 1986CH 609 - Organic Chemistry Practicals(a) EstimationsEstimation of Phenol, Aniline, Ascorbic Acid.Estimation of ketone by volumetric method & gravimetric method.Estimation of Lactose in milk.Estimation of glucose by Fehlings method.Estimation of glucose by Bertrand's method.(b) Analysis of OilsDetermination of Saponification value of an oil., Determination of Acetyl value of an oil.Determination of Iodine value of an oil., Determination of Acid value of an oil.(c) Drug AnalysisEstimation of Isoniazin by KMnO4 method and bromine method.Estimation of Ascorbic acid in a given tablet., Estimation of pot. phenoxy methyl penicillin in agiven tablet.(d) Preparations - Double Stage Preparation of m-nitrobenzoic acid from methyl benzoate. ,Preparation of Acetyl Salicylic acid from methyl salicylate., Preparation of Triacetoxy benzenefrom Hydro Quinone. , Preparation of m-nitroniline from nitro benzene., Preparation ofTribromo benzene from Aniline. , Preparation of p-nitroaniline from Acetanilide Single stagepreparations involving acetylation, alkylation, condensation, hydrolysis, esterification etc.,.(e) Extraction: Extraction of caffeine from tea leaves.(f) Chromatography: i. Separation of Anthocyanidine from Hibiscus Rosasinens., ii. Separationof sugars.iii. Separation of Amino Acids.Separation and characterization of two component and three component mixtures.Text Books:l. A. I. Vogel, „Text book of Practical Organic Chemistry‟,5th Edn. ELBS, London, l989.2. B. B. Dey and M. V. Sitharaman, „Laboratory Manual of Organic Chemistry‟ Revised byT.R. Govindachari, Allied Publishers Ltd., New Delhi. 4th Revised Edn., l992.

P a g e 8CH 611 – Analytical Chemistry PracticalsDetermination of Copper, Iron, Ca and Mg in a mixture (EDTA)Magnesium, manganese and zinc in a mixture (fluoride masking EDTA)Kinetic Masking Chromium and Iron in a mixtureRedox tirtationsSolvent extraction: Determination of Boron using FerroionEstimation of magnesium in antacid tablets.Estimation of available Chlorine in Bleaching powderEstimation of Na2CO3 in NaOH, % purity of Washing sodaEstimation of dissolved oxygen in different water samplesEstimation of Molecular mass of Organic AcidsWater Analysis (TDS, Alkalinity, Hardness, COD, DO and Chloride)Uv-Vis and Photometric estimation of metal ionsEstimations of metal ions in real samples using AASEstimation of Phosphate by Nephelometry.Analysis of a mixture by Gas Chromatography.Determination of N,P and K in a fertilizer sampleIdentification and Quantification of a drug using HPLCText Books:1. Manual Provided by the Department2. A. I. Vogel, Text Book of Quantitative Inorganic Analysis, 5th Edn, Longman, 1989Semester 2CH 602-Photochemistry and pericyclic reactionsFundamentals of Photochemistry, Qualitative introduction about different transitions, Cis-Transisomerization, Paterno-Buchi reaction, Norrish type I and II reactions, photo reduction ofketones, photochemistry of arenes di-pi-methane and Hoffmann-Loeffler-Freytagrearrangements.Pericyclic reactions: Classification, electrocyclic, sigmatropic, cycloaddition and ene reactions,Woodward-Hoffmann rules, and FMO theory, Claisen, Cope, Sommelet-Hauser, and Diels-Alderreactions in synthesis, stereochemical aspects.Optical activity and chirality, absolute and relative configuration-R-S Notation system,Molecules with more than one asymmetric center. Enantiotopic and diastereotopic atoms, groupsand faces. Stereo specific and stereo selective synthesis Optical isomerism of biphenyls, allenesand spiranes. Compounds containing chiral nitrogen and sulfur. Geometrical isomerism, E, Znomenclature of olefins, cumulenes and oximes.

P a g e 9Fischer projection, Inter-conversion of Sawhorse, Newman and Fischer projectionsConformational analysis of ethane and disubstituted ethane derivatives, cycloalkanes andsubstituted cyclohexane. Conformation and stereochemistry of cis and trans decalin and 9methyldecalin. Anomeric effect in cyclic compounds.Theories of Aromaticity and Antiaromaticity, Huckel‟s rule, annulences and heteroannulenes,fullerenes (C60).Other conjugated systems, Chichibabin reaction. Aromatic electrophilicsubstitution: Orientation, reactivity, and mechanisms. Substitution in thiophene and pyridine.Aliphatic electrophilic substitution SE1, SE2, SEi mechanisms.Text Books:1. House, Modern Synthetic Reactions, 1973.References:1. R.O.C. Norman and J. M. Coxon, Principles of organic synthesis, ELBS, 1994.2. J. J. Li, Name Reactions, Springer, 3rd Edn, 2006.3. B. P. Mundy, M. G. Ellerd, F. G., Jr. Favaloro Name Reactions and Reagents in OrganicSynthesis, Wiley-Interscience, 2005.CH 604 - Organometallic ChemistryStructure and Bonding in Organometallics- 18-electron rule- Metal Carbonyls-Bondingspectra- Nitrosyls-dinitrogen complexes-Phosphines- Metal Alkyls, Aryls, Hydrides anddihydrogen complexes- Bound Ligands- Fluxional Molecules-Physical methods inorganometallicsReaction Mechanism and Catalysis: Ligand substitution- Oxidative Addition and ReductiveElimination- 1,1 and 1,2-Insertion- Addition and Elimination Reactions- Alkene isomerizationHydroboration-Hydrocyanation- Asymmetric Hydrogenation of olefins- Wilkinson‟s catalystHydroformylation of olefins- Wacker-smidt Synthesis- Monsanto Acetic Acid process-EastmanHalcon process- Fischer-Tropsch process- hydrosilylation.Carbenes: Fischer and Schrock Carbenes -Bonding & Reactivity- Grubbs catalyst- CarbynesStructure, synthesis and reactions. C-H and C-C activation- Agostic Bonds - Alkene MetathesisMechanism- ROMP, SHOP and ADMET- C-H bond Activation-Ziegler-Natta Polymerization ofolefins-TelomerizationOther Reactions: Heck Reaction- The Pauson Khand reaction- Ene reaction, Susuki couplingDotz reaction -Vollhardt reaction-Murai reaction-Stille Coupling- Sonagashira coupling-Alkenecarbometalation- The Hartwig-Buchwald Amination- Metallocenes-Electronic Structure andBonding in Ferrocene- Synthesis, Physical and Spectroscopic properties of metallocenes

P a g e 10Inorganic Cages and Clusters- Isolobal Analogy- Metal clusters-structure and bonding ofboron hydrides- carboranes and heteroboranes - metal clusters - structural prediction oforganometallic clusters- Spectral and magnetic properties of lanthanide and actinide complexes Chemical Shift reagentsText Books:1. R.H. Crabtree, The Organometallic Chemistry of Transition Metals, 4th Edn Wiley-VCH2. G.O. Spessard and G. L. Miessler, Organometallic Chemistry, 2nd Edn, Oxford Universitypress3. J. E. Huheey, E. A. Keiter and R. L. Keiter “Inorganic Chemistry, Principles of Structure andReactivity”, 4th Edition, Harper Collin College Publishers, 1993References:1. J. P. Collman, Principles and Applic

MASTER OF SCIENCE IN CHEMISTRY SYLLABUS FOR THE CREDIT BASED CURRICULUM . CH 610 Inorganic Chemistry Practicals - - 6 2 CH 612 Physical Chemistry Practicals - - 6 2 16 Semester 3 CH 613 Synthetic Organic Chemistry 3 - - 3 CH 615 Solid State, Nuclear and Main Group Chemistry 3 - - 3 .

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