* For students without Mathematics in B.Sc.
** For students without Biology in B.Sc.
|Duration : 3 Hrs.
||Max. Marks : 100
||Min. Marks 36
Stereochemistry and Bonding in Main Group Compounds :
VSEPR, Walsh diagram (triatomic (AH2 type) and penta-atomic (CH3I) molecules), dp-pi bond, Bent rule and energetics of hybridization, some simple reactions of covalently bonded molecules.
Metal-Ligand Equilibria in Solution
Stepwise and overall formation contstants and their interaction, trends in stepwise constant, factors affecting the stability of metal complexes with reference to the nature of metal ion and ligand. Chelate effect and its thermodynamic origin, determination of binary formation constants by pH-metry and spectrophotometry.
Reaction Mechanism of Transition Me
tal Complexes :
Energy profile of a reaction, reactivity of metal complex, inert adn labile complexes, kinetic application of valence bond and crystal field theories, kinetics of octahedral substitution, acid hydrolysis, factors affecting acid hydrolysis, base hydrolysis, conjugate base mechanism, direct and indirect evidences in favour of conjugate mechanism, anation reactions, reactions without metal ligand bond cleavage. Substitution reactions in square planare complexes, the trans effect, mechanism of the subitution reactiion. Redox reaction, electron transfer reactions, mechanism of one electron transfer reactions, outer sphere type reactions, cross reactions and Marcus-Hush theory, inner sphere type reactions.
Limitation of crystal field theory, molecular orbital theory, octahedral, tetrahedral and square planar complexes, p-bonding and molecular orbital theory.
Electronic Spectra and Magnetic Properties of Transition Metal Complexes :
Spectroscopic ground states, correlation. Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1-d9 states), calculations of da, B and b parameters, charge transfer spectra, spectroscopic method of assignmetnt of absolute configuration in optically active metal chelates and their stereochemical information, anomalous magnetic moments, maggnetic exchange coupling and spin crossove.
Metal carboynl, structure and bonding, vibrational spectra of metal carbonyls for bonding and structural elucidation,important reactions of metal carbonyls; preparation, bonding structure and important reaction of transition metal nitrosyl, dinitrogen and dioxgen complexes; tertiary phosphine as ligand.
Higher boranes, carbonanes, metalloboranes and metalloearbonaes compounds with metal metal multiple bonds.
Isopoly and Heteropoly Acids and Salts
Books Suggested :
- Advanced Inorganic Chemistry, F.A. Cotton and Wilkinson, John Wiley.
- Inorganic Chemistry, J.E. Huhey, Harpes & Row.
- Chemistry of the Elements. N.N. Greenwood and A. Earnshow, Pergamon.
- Inorganic Electronic Spectroscopy, A.B.P. Lever, Elsevier.
- Magnetiochemistry, R.1. Carlin, Springer Verlag.
- Comprehensive Coordiantion Chemistry eds., G. Wilkinson, R.D. Gillars and J.A. Mc Cleverty,Pergamon.
|Duration : 3 Hrs.
||Max. Marks : 100
Nature of Bonding in Organic Molecules :
Delocalized chemical bonding-conjugation, cross conjugation, resonance hyperconjugation, bonding in fullerences, tautomerism.
Aromaticity in benzenoid and non-benzoid compounds, alternate adn non-alternathydrocarbons. Huckel's rule, energy. Level of p-molecular orbitals, annulenes, anti-aromaticity, homo-aromaticity, PMO approach. Bonds weaker than covalent-addition compounds, crown ether complexs and cryptands, inclusion compounds, catenanes and rotaxanes.
Conformational analysis of cycloalkanes, decalines, effect of conformation on reactivity, conformation of sugars, strain due to unavoidable crowding Elements of symmetry, chirality, molecules with more than one chiral center, threo and ertyhro isomers, methods of resolution, optical purity, enantiotopic and diastereotopic atoms, groups and faces, stereospecific and stereoselective synthesis, Asymmetric synthesis. Optical activity in the absence of chiral carbon (biphenyls, allenes and spirane chirallity due to helical shape.
Stereochemistry of the compounds containing nitrogen, sulphur and phosphorus.
Reaction Mechanism : Structure and Reactivity :
Type of mechanisms, types of reactions, thermodynamic and kinetic requiremetns, kinetic and thermodynamic control, Hammond's postulate, Curtir-Hammett principle. Potential energy diagrams, transition states and intermediates, methods of determining mechanisms, isotopes effects Generation, structure, stability and reactivity of carbocations, carbanions, free radicals, carbenes and nitrenes.
Effect of structure on reactivity,
resonance and field effects, steric effect, quantitative treatment. The Hammett equation and linear free energy relationship, substituent and reaction constants, aft equation.
Aliphatic Nucleophilic Subsitution
The SN2, SN1 mixed SN1 and SN2 and SET mechanism.
The neighbouring group mechanism, neighbouring group participation by p and s bonds, anchimeric assistance.
Classical and nonclassical carbocations, phenomium ions, norborynl systems, common carbocation rearrangements. Application of NMR spectroscopy in the detection of carbocations.
The SN1 mechanism. Nucleophilic substitutin at an allylic, aliphatic trigonal and a vinylic carbon.
Reactivity effects of substrate structure, attacking nucleophile, leaving group and reaction medium, phase transfer catalysis and ultrasound, ambident nucleophile, regioselectivity.
Aliphatic Electrophilic Substitution
Bimolecular mechanisms SE2 and SE1, The SE1 mechanism, electrophilic substution accompanied by double bond shifts. Effect of substrates, leavign groups and the solvent polarity on the reactivity.
Aromatic Electrophilic Substitution
The arenium ion mechanism, orientation and reactivity, energy profile diagrams. The ortho/para ratio, ipso attack, orientatino in other ring systems. Quantitative treatment of reactivity in substrates and electrophiles. Diazonium coupling, Vilsmeir reactiion, Gatterman-Koch reaction
Aromatic Nucleophilci Substitution
The SNAr SN1, benzyne and SN1 mechanism, Reactivity effect of substrate structure, leaving group and attacking nucleophile. The Von Richte. Sommelet-Hauser, and Smiles rearrangments.
Free Radical Reactions :
types of free radical reactions, free radical substitution mechanism, mechanismat an aromatic substrate, neighbouring group assistance. Reactivity for aliphatic and aromatic substrates at a bridgehead. Reactivity in the attacking radicals. The effect of solvents on reactivity.
Allylic halogenation (NBS), oxidation of aldehydes to carboyxlic acids, auto-oxidation, coupling of alkynes and arylation of aromatic compounds by diazonium salts, Sandmeyer reaction. Free radical rearrangement. Hunsdiecker reaction.
Addition to Carbon-Carbon Multiple Bonds :
Mechanistic and stereochemical aspects of addition reactions involving electrophiles, nucleophiles and free radicals, regio-and chemoselectivity, orientation and reactivity. Addition to cyclopropane ring. Hydrogenation of double and triple bounds, hydrogenation of aromatic rings. Hydroboration, Michael reaction, sharpless asymmetric epoxidation.
Addition to Carbon-Hetero Multiple bonds
Mechanism of metal hydride reduction of saturated and unsaturated carbonyl compounds, acid esters and nitriles. Addition of Grignard reagents, organozinc and organolithium reagents to carbonyl and usaturated carbonyl compounds. Witting reaction.
Mechanism of condensation reactions involving enolates-Aldol, Knoevenagel, Claisen, Mannich, Benzoin, Perkin and Stobbe reactions. Hydrolysis of esters and amides, ammonolysis of esters.
The E2, E1 and E1 cB mechanisms and their spectrum. Orientation of the double bond. Reactitivty-effects of substrate structures, attacking base, the leavign group and the medium.
Mechanism and orientation in pyrolytic elimination.
Molecular orbital symmetry, Frontier orbitals of ethylene, 1,3-butadiene, 1,3,5-hexatriene and allyl system. Classification of periycyclic reactions. Woodward-Hoffmann correlatino diagrams. FMO and PMO approach. Electrocyclic reactions-conrotatory and disrotatory motions, 4n 4n+2 and allyl systems. Cycloadditions-antarafacial and suprafacial additions, 4n and 4n+2 systems, 2+2 addition of ketenes, 1,3 dipolar cycloadditions and cheleotrpic reactions.
Sigmatropic rearrangements-suprafacial and antarafacial shifts of H, sigmatropic involving carbon moieties, 3,3- and 5,5 sigmatropic rearrangements. Claise n, Cope and aza-Cope rearrangements. Fluxional tautomerism. Ene reaction.
- Advanced Organic Chemistry-Reactions, Mechanism and Structure, Jerry March,John Wiley.
- Advanced Organic Chemistry, F.A. Carey and R.J. Sunderg, Plenum.
- A Guide Book to Mechanism in Organic Chemistry, Peter Sykes, Longman.
- Structure and Mechanism in Organic Chemistry, C.K. Ingold, Comell University Press.
- Organic Chemistry, R.T. Morrison and R.N. Boyd, Prentice-Hall.
- Modern Organic Reactions, H.O. House, Benjamin.
- Principles of Organic Synthesis, R.O.C. Norman and J.M. Coxon, Blackie Academic &* Professionsl.
- Reaction Mechanism in Organic Chemistry, S.M. Mukherji and S.P. Singh, Macmillan.
- Pericyclic Reactions, S.M. Mukherji, Macmillan, India
- Stereochemistry of Organic Compounds, D.Nasipuri, New Age International.
- Stereochemisty of Organic Compounds, P.S. Kalsi, New Age International.
|Duration : 3 Hrs.
||Max. Marks : 100
1. Quantum Chemistry
A. Introduction to Exact Quantum Mechanical Results
the Schrodinger equation and the postulates of quantum mechanics. Discussion of solutions of the Schrodinger equation to some model systesm viz., particle in a box, the harmonic oscillator, the rigid rotor, the hydrogen atom.
B. Approximate Methods
The variation theorem, linear variation principle. Perturabation theory (First order and nondegenerate). Applications of variation method and perturbation theory to the Helium atom.
C. Angular Momentum
Ordinary angular momentum, generalized angular momentum, eigenfucntions for angular momentum, eigenvalues of angular momentum operator usign ladder operators addition of angular momenta, spin, antisymmetry and Pauli exclusion principle.
D. Molecular Orbital Theory
Huckel theory of conjugated systems bond and charge density calculations. Applications to ethylene, butadiene, cyclopropenyl radical cyclobutadiene etc. Introduction to extended Huckel theory.
A. Classical Thermodynamics
Brief resume of concepts of laws of thermodynamics, free energy, chemical potential and entropies. Partial molar free energy, partial molar volume and partial molar heat content and their significance. Determinations of these quantities. Concept of fugacity and determination of fugacity.
Non-ideal systems : Excess function
s for non-ideal solutions. Activity, activity coefficient, Debye Huckel theory for activity coefficient fo electrolytic solutions; determination of activity and activity coefficients; ionic strength.
Application of phase rule to three component systems; second order phase transitions.
B. Statistical Thermodynamics
Concept of distribution, thermocdynamic probability and most probable distribution. Ensemble averaging, postulates of ensemble averaging. Canonical, grand canonical and microcanonical ensembles, corresponding distribution laws (using Lagrange's method of undetermined multipliers).
Partition functions-translation, rotational, vibrational and electronic partition functions, Calculation of thermodynamic properties in tems of partition. Application of partition functions.
Heat capacity behaviour of solids-chemical equilibria and equilibrium constnat in terms of partition functions, Fermi-Dirac Statistics, distribution law and applications to metal. Bose-Einstein statistics distribution Law and application to helium.
C. Non Equilibrium Theromodynamics
Thermodynamic criteria for non-equilibrium states, entropy production and entropy flow, entropy balance equations for different irreversible processes (e.g., heat flow, chemical reaction etc.) transformations of the generalized fluxes and forces, non equilibrium stationary states, phenomenological equations, microscopic reversibility and Onsager's reciprocity relatins, electrokinetic phenomena, diffusion, electric conduction.
Methods of determining rate laws, collision theory of reaction rates, steric factor, activated complex theory, Arrhenius equation and the activiated complex theory; ionic reactions, kinetic salt effects, steady state kinetics, kinetic and thermodynamic control of reactions, treatment of unimolecular reactions.
Dyamic chain (hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane), photochemical (hydrogen-bromine and hydrogen-chlorine reactions) and homogenous catalysis, kinetics of enzyme reactions, general featurres fo fast reactiions, study of fast reactions by flow method, relaxation method, flash phototlysis ad the nuclear magnetic resonance method, dynamics of unimolecular reactiosn (Lindemann Hinshelwood and Rice-Ramsperger-Kassel-Marcus (RRKM) theories fo unimolecular reactions).
Surface tension, capillary action, pressure difference across curved surface (Laplace equation), vapour pressure of dropletes (Kelvin equation), Gibbs adsorption isotherm, estimation of surface area (BET equation), Surface films on liquids (Electro-kinetic phenomenon).
Surface active agents, classification of surface active agents, micellization, hydrophobic interaction, critical micellar concentration (CMC), factors affecting the CMC of surfactants, counter ion binding to micelles, thermodynamics of micellization-phase separation and mass action models, solublization, micro emulsion, reverse micelles.
Polymer-definitin, types of polymers, electrically conducting, fire resistant, liquid crystal polymers, kinetics of polymerization, mechanism of polymerization.
Molecular mass, number and mass average molecular mass, molecular mass determination (Osmometry, viscometry, fiffusion and light scattering methods), sedimentatin, chain configuration of macromlecules, calculation of average dimension of various chain structures.
Electrochemistry of solutions. Debye-Huckel-Onsager treatment and its extension, ion solvent interactions. Debye-Huckel-Jerum mode. Thermodynamics of electrified interface equations. Derivation of electro capillarity, Lippmann equations (surface excess), methods of detrminatin. Structure of eelctrified interfaces. Guoy-Chapman, Stem, Grahmam Devanatham-Mottwatts, Tobin, Bockris, Devanathan models, Overpotentials, exchange current density, derivation of Butler Volmer equation, Tatel plot.
Quantum aspects of charge transfer at electrodes-solution interfaces, quantization of charge transfer, tunneling.
Semiconductor interfaces-theory of double layer at semiconductor, electrolyte solution interfaces, structure of double layer interfaces.
Effect of light at semiconductor solution interface.
Polarography theory, Ilkone equation; half wave potential and its significance.
- Physical Chemistry, P.W. Atkins, ELBS.
- Introduction to Quantum Chemistyry, A.K. Chandra, Tata Mc Graw Hill.
- Quantum Chemistry, Ira N. Levine, Prentice Hall.
- Coulson's Valence, R.Mc Ween
- Chemical Kinetics. K.J. Laidler, McGraw-Hill.
- Kineties and Mechanism of Chemical Transformation J.Rajaraman and J. Kuriacose, Mc Millan.
- Micelles, Theoretical and Applied Aspects, V. MOraoi, Plenum.
- Modern Electrochemistry Vol. 1 and Vol II J.O.M. Bockris and A.K.N. Reddy, Planum.
- Introduction to Polymer Science, V.R. Gowarikar, N.V. Vishwanathan and J. Sridhar, Wiley Eastern.
|Duration : 3 Hrs.
||Max. Marks : 75
Symmetry and Group theory in Chemistry
Symmetry elements and symmetry operation, definition of group, subgroup. Conjugacy relation and classes. Point symmetry group. Schonfilies symbols, representations of groups by matrices (representation for the CN, CNV, etc, group to be worked out explicity). Character of a representation. The great orthogonality theorem (without proof) and its importance. Character tables and their use; spectroscopy. Derivation of character table for C2v and C3v point group Symmetry aspects of molecular vibrations of H2O molecule.
Electrogmagnetic radiation, interaction of electromagnetic radiation with matter-absorption, emission, transmission, ferflection, refraction, dispersion, polarisation and scattering. Uncertainty relation and natural line width and natural line broadening, transition probability, results of the time dependent perturbation theory, transition moment, selection rules, intensity of spectral lines.
Classification of molecules, rigid rotor model, effect of siotopic substituion on the transition frequencies, intensities, non-rigid rotor. Stark effect, nuclear and electron spin interaction and effect of external field. applications.
Review of lineear harmonic oscillator, vibrational energies of diatomic molecules, zero point energy, force constant and bond strengths; anharmonicity, Morse potential energy diagram, vibration-rotation spectroscopy. P.Q.R. branches, Breakdown of Oppenheimer approximation; vibrations of polyatomic molecules. Selection rules, normal modes of vibration, group frequencies, overtones, hot bands, factors affecting the band positions and intercities, far IR region, metal ligand vibrations, normal co-ordinate analysis.
B. Raman Spectroscopy
Classical and quantum theories of Raman effect. Pure rotational, vibrational and vibrational-rotational Raman spectra, selection rules, mutual exclusion principle, Resonance aman spectroscopy, coherent anti stokes Raman spectroscopy (CARS).
A. Atomic Spectroscopy
Energies of atomic orbitals, vector representation of momenta and vector coupling, spectra of hydrogen atom and alkali metal atoms.
B. Molecular Spectroscopy
Energy levels, molecular orbitals, vibraonic transitions, vibrational progressions and geometry of the excited states, Franck-Condon principle, electronic spectra of polyatomic molecules. Emission spectra; radiative and non-radiative decay, internal conversion, spectra of transition metal complexes, charge-transfer spectra.
C. Photoelectron Spectroscopy
Basic principles; photo-electric effect, ionization process, Koopman's theorem. Photoelectron spectra of simple molecules, ESCA, chemical information from ESCA. Auger electron spectroscopy-basic idea.
Magnetic Resonance Spectroscopy
A.Nuclear Magnetic Resonance Spectroscopy
Nuclear spin, nuclear resonance, saturation, shielding of magnetic nuclei, chemical shift and its measurements, factors, influencing chemical shift, deshielding, spin-spin interactions, factors influencing coupling constant "j" Classification (AXB, AMX, ABC, A2B2 etc.). spin decoupling; basic ideas about instrment, NMR studies of nuclei other than protin-13C, 19F and 31P. FT NMR, advantages of FT NMR.
B. Electron Spin Resonance Spectroscopy
Basic principles, zero field splitting and Kramer's degeneracy, factos affecting the 'g' value. Isotropic and anisotropic hyper fin coupling contstnats, spin Hamiltonian, spin densities and Mc Connell relationship, measurement techniques, applications.
Bragg condition, Miller indices, Laue Method, Bragg method, Debye Scherrer method of X-ray structural analysis of crystals, index reflections, identification of unit cells from systematic absences in diffraction pattern, Structure of simple lattices and X-ray intensities, structure factor and its relation to intensity and electron density, phase problem. Description of the procedure for an X-ray structure analysis, absolute configuration of molecules.
Scattering intensity vs. scattering angle, Wierl equation, measurement technique, elucidation of structure of simple gas phase molecules. Low energy electron difffraction and structure of surfaces.
Scattering of neutrons by solids me
asurement techniques, Elucidation of structure of magnetically ordered unit cell.
- Modern Spectroscopy, J.M. Hollas, John Viley.
- Applied Electron Spectroscopy for chemical analysis d. H. Windawi and F.L. Ho, Wiley Interscience.
- NMR, NQR, EPr and Mossbauer Spectroscopy in Inorganic Chemistry, R.V. Parish, Ellis Harwood.
- Physical Methods in Chemistry, R.S. Drago, Saunders College.
- Chemical Applications of Group Theory, F.A. Cotton.
- Introduction to Molecular Spectroscopy, G.M. Barrow, Mc Graw Hill.
- Basic Principles of Spectroscopy, R. Chang, Mc Graw Hill.
- Theory and Application of UV Spectroscopy, H.H. Jaffe and M. Orchin, IBH-Oxford.
- Introduction to Photoelectron Spectroscopy, P.K. Ghosh, John Wiley.
- Introduction to Magnetic Resonance. A Carrington and A.D. Maclachalan, harper & Row.
Ch-405 (a) : MATHEMATICS OF CHEMISTS
(For students without Mathematics in B.Sc.)
|Duration : 3 Hrs.
||Max. Marks : 25
Vectors and Matrix Algebra
Vectors, dot, cross and triple products etc. gradient, divergence and curl, Vector Calculus.
B. Matrix Algebra
Addition and multiplication; inverse, adjoint and transpose of matrices, special matrices (Symmetric, skew-symmetric, Hermitian, Skey-Harmitian, unit, diagonal, unitary etc.) and their properties. Matrix equations: Homogeneous, non-homogeneous linear equations and conditions for the solution, linear dependence and independence.
Introduction to vector spaces, matrix eigenvalues and digenvetors, diagonalization, determinatnts (examples from Juckel theory).
Functions, continuity and differentiability, rules for differentiation, applications of differential calculus including maxima and minima (examples related to maximally populated rotational energy levels, Bohr's radius and most probable velocity from Maxwell's distribution etc.).
Integral calculus, basic rules for integration, integration by parts, partial fractions and substitution. Reduction formulae, applications of integral calculus.
Functions of several variables, partial differentiation, co-ordinate transformations (e.g. cartesian to spherical polar).
Elementary Differential equations
First-order and first degree differential equations, homogenous, exact and linear equations. Applications to chemical kinetics, secular equilibria, quantum chemistry etc. second order differential equation and their solutions.
Permutation and Probability
Permutations and combinations, probability and probability theorems average, variance root means square deviation examples from the kinetic theory of gases etc., fitting (including least squares fit etc with a general polynomial fit.
- The chemistry Mathematics Book, E.Steiner, Oxford University Press.
- Mathematifs for chemistry, Doggett and Suiclific, Logman.
- Mathematical for Physical chemistry : F. Daniels, Mc. Graw Hill.
- Chemical Mathematics D.M. Hirst, Longman.
- Applied Mathematics for Physical Chemistery, J.R. Barante, Prenice Hall.
- Basic Matchematics for Chemists, Tebbutt, Wiley.
CH-405 (b) BIOLOGY FOR CHEMISTS
(For students without Biology in B.Sc.)
|Duration : 3 Hrs.
||Max. Marks : 25
Cell Structure and Functions
Structure prokaryotic and eukaryotic cells, intracellular organelles and their functions, comparision of plant and animal cells. Ove4rview and their functions, comparision of plant and animal cells. Overview of metabolic processes-catabolism and analbolism. ATP - the biological energy currency. Origin of life-unique properties of carbon chemical evolution and rise of living systems. Introduction to biomolecules, building blocks of biol-macromolecules.
Conformation of monosaccharides, structure and functions of important derivatieves of monosaccharides like glycosides, deoxy sugars, myoinositol, amino sugars. N-acetylmuramic acid, sialic acid disaccharides and polysaccharides. Structural polysaccharides cellulose and chitin. Storage polysaccharides-starch and glycogen. Structure and biological fucntion of glucosaminoglycans of mucopolysaccharides. Carbohydrates of glycoporteins and glycolipids. Role of sugars in biological recognition. Blood group substances. Ascorbic acid.
Carbohydrate metabolism-Kreb's cycle, glycolysis, glycogenesis and glycogenolysis, gluconeogenesis, pentose phosphate pathway.
Fatty acids, essential fatty acids, structure and function of triacylglycerols, glycerophospholipids, sphingolipids, cholesterol, bile acids, prostaglandins. Liproproteins-compositiion and function, role in atherosclerosis.
Properties of lipid aggregates-mic
elles, bilayers, liposomes and their possible biological functions. Biological membranes. Fluid mosaic model of membrane structure.
Lipid metabolism-b-oxidation of fatty acids.
Amino-acids, Peptides and Proteins
Chemical and enzymatic hydrolysis of proteins to peptidies, amino acid sequencing. Secondary structure of proteins. force responsible for holding of secondary structures. a-helix, -b-sheets, super secondary structure, triple helix structure of collagen. Tertiary structure of protein-folding and domina structure. Quaternary structure.
Amino acid metabolism-degradation and biosynthesis of amino acids, sequence determinatino : chemical/enzymatic/mass spectral, racemization/detection. Chemistry of oxytocin and tryptophan releasing hormone (TRH).
Purine and pyrimidine bases of nucleic acids, base pairing via Hbounding. Structure of ribonucleic acids (RNA) and deoxyribonucleic acid (DNA), double helix model of DNA and forces responsible for holding it. Chemical and enzymatic hydrolysis of nucleic acids. The chemical basis for heredity, an overview of replication of DNA, transcription, translation and genetic code. Chemical sysnthesis of mono and trinucleoside.
- Principles of Biochemistry, A.L. Lehninger, Worth Publishers.
- Biochemistry, L. Stryer, W.H. Freeman.
- Biochemistry, J. David Rawan, Neil Patterson.
- Biochemistry, Voet and Voet, John Wiley.
- Outlines of Biochemistry E.E. Conn and P.K. Stumpf, John Wiley.
Ch-406 : COMPUTERS FOR CHEMISTS
This is a theory cum-laboratory co
use with more emphasis on laboratory work.
|Duration : 3 Hrs.
||Max. Marks : 50
Introductiion to computers and Computing 8 Hrs.
Basic structure and functioning of computer with a PC as illustrative example. Memory I/O devices. Secondary storage Computer languages. Operating systems with DOS as an example Introduction to UNIX and WINDOWS. Principles of programming Alogrithms and flow-charts.
Computer Programming in FORTRAN/C/BASIC
(the language features are listed here with reference to FORTRAN. The instructor may choose another language such as BASIC or C the features may be replaced appropriately). Elements of the compute language. Constants and variables. Operations and symbols Experssions. Arithmatic assignment statement. Input and output Format statement. Terminatino statements. Branching statements as IF or GO TO statement. LOGICAL variables. Double precission variables. Subscripted variables and DIMENSION. DO statement FUNCTION AND SUBROUTINE. COMMON and DATA statement (Student learn the programming logic and these language feature by hands on experience on a personal computer from the beginning of this topic.)
Programming in Chemistry
Developing of small computer codes (FORTRAN/C/BASIC) involving simple formulae in Chemistry, such as Van der Waals equation. Chemical kinetics (determination of Rate constant) Radioactive decay (Half Life and Average Life). Determination Normality, Molarity nd Molality of solutions. Evaluation Electronegativity of atom and Lattice Energy from experimental determination of molecular weight and percentage of element organic compounds using data from experimental metal representation of molecules in terms of elementary structural features such as bond lengths, bodn angles, dihedral angles, etc.
Use of Computer programmes 15 Hrs.
Operation of PC. Data Processing. Runningof standard Programs and Packages uuch as MS WORD, MS EXCEL special emphasis on calculations and chart formations. X-Y plot. Simpson's Numerical Integration method. Programmes with data preferably from physical chemistry laboratry. Introduction of working of any one of the packages such as LOTUS/EXCEL/FOXPRO/MOPAC and Word Processing software such as WORDSTAR/MS WORD.
Book Suggested :
Fundamentals of Computer : V. Rajaraman (Prentice Hall)
Computers in Chemistry : K.V. Raman (Tata Mc Graw Hill)
Computer Programming in FORTRAN IV-V Rajaraman (Prentice Hall)
||Duration : 18 Hrs. (3 days)
||Max. Marks : 200
Qualitiative and Quantitative Analysis
Separation of cations and anions by
- Less common metal ions : Ti, MO, w, Ti, Zr, Th, V, U (two metal ions in cationic/anionic forms).
- Insolubles : Oxides, sulphates and halides.
- Sepration and determination of two metal ions Cu-Ni, Ni-Zn, Cu-Fe etc. involving volumetric and gravimetric methods.
- Paper Chromatography.
- Column Chromatography : Ion exchange.
Preparation of selected inorganic compounds and their studies by I.R. electronic spectra, Mossbauer, E.S.R. and magnetic susceptibility measurements. Handling of air and moisture sensitive compounds.
- VO (acac)2
- TiO (C9H8NO)2H2O
- Prussian Blue, Turnbull's Blue.
- [Co(NH3)6] [Co(NO2)6]
- cis-[Co(trien) (NO2)2] Cl.H2O
Separation, purification and identification of compounds of binary mixture (one liquid and one solid) using tlc and columns chromatography, chemical tests. IR spectra to be used for functional group identification.
Acetylation : Acetylation of cholesterol and sepration of cholesteryl acetate by column chromatography.
Oxidation : Adipic acid by chromic acid oxidation of cyclothexaneol Grignard reaction : Synthesis of triphenylmethanol from benzoic acid aldol condensation : Dibenzal acetone from benzaldehyde.
Sandmeyer reactuion : p-Chlorotoluene from p-toluidine.
Acetoacetic ester Condensation : Synthesis of ethyl-n-butylacetoacetate by A.E.E. condensation.
Connizzaro reaction : 4-Chlorobenzaldehyde as substrate.
Friedel Crafts reaction : b-Benzoyl propionic acid from succinic anhydride and benzene.
Aromatic electrophilic sustitutions : Synthesis of p-nitroaniline and p-bromoaniline.
The Products may be Characterized by Spectral Techniques.
Determination of the percentage or number of hydroxyl groups in an organic compound by acetylation method.
Estimation of amines/phenols using bromate bromide solution/or acetylation method.
Determination of lodine and Saponification values of an oil sample.
Determination of DO, COD and BOD of water sample.
Number of hours for each experiment : 3-4 hours.
A list of experiment under different headings is given helow, Typical experiments are to be selected from each type. Students are required to perform at least 30 experiments.
Error Analysis and Statistical Data Analysis
Errors, types of errors, minimization of errors distribution curves precision, accuracy and combination; statistical treatment for erro analysis, student 't test, null hypothesis, rejection criteria. F & Q test; linear regression analysis, curve ftting.
Calibration of vlumetric apparatus, burette, piette and standard flask.
To study surface tension-connectration relationship for solutions (Gibbs equation).
- Determination of congruent composition and temperatur5e of a binary system (e.g. diphenylamine-benzophenone system).
- Determination of glass transition temperature of given salt (e.g., CaCl2) conductometrically.
- To construct the phase diagram for three component system (e.g. chloroform-acetic acid-water).
- Determination of the effect of (a) Change of temperature (b) Charge of concentration of reactant and catalyst and (c) Ionic strength of the media on the velocity constnat of hydrolysis of an ester/ionic reaction.
- Determination of the velocity constant of hydrolysis of an ester/ionic reaction in micellar media.
- Determination of the velocity constant for the oxidation of iodide ions by hydrogen peroxide study the kinetics as an iodine clock reactions.
- Flowing clock reactions (Ref : Experimetns in Physical Chemistry by Showmaker)
- Determination of the primary salt effect on the kinetics of ionic reaction and testing of the Bronsted relationship (iodide ion is oxidised by persulphate ion).
- Oscillatory reaction.
- Determination of molecular weight of non-volatile and electrolyte/electrolyte by cryoscopic method and to determine the activity coefficie
nt of an electrolyte.
- Determination of the degree of dissociation of weak electrolyte and to study the deviation from ideal behaviour that occures with a strong electrolyte.
B. Potentiometry/pH metry
- Determination of the velocity constant, order of the reaction and energy of activation for saponification of ethyl acetate by sodium hydroxide conductometrically.
- Determination of solubility and solubility product of sparingly soluble salts 9e.g. PbSO4, BaSO4) conductometrically.
- Determination of the strength of strong and weak acid in a given mixture conductometrically.
- to study of the effect of solvent on the conductance of AgNO3/acetic acid and to determine the degree of dissociation and equilibirum constant in different solvents and in their mixtures (DMSO, DMF, dioxane, acetone, water) and to test the validity of Debye-Huckel-Onsager theory.
- Determination of the activity coefficient of zinc ions in the solution of 0.002 M zinc sulphate using Debye Huckel's limiting law.
- Determination of strengths of halides in a mixture potentiometrically.
- Determination of the valency of mercurous ions potentiometrically.
- Determination of the strength of strong and weak acids in a given mixture using a potentiometer/pH meter.
- Determination of temperature dependence of EMF of a cell.
- Determination of the formation constant of silver-ammonia complex and stoichiometry of the complex potentiometrically.
- Acid-base titration in a non-aqueous media using a pH meter.
- Determination of activity and activity coefficient of electrolytes.
- Determination of the dissociation constant of acetic acid in DMSO. DMF, acetone adn dioxane by titrating it with KOH.
- Determination of the dissociation constnat of monobasic/dibasic acid by albert-Sderjeant method.
- Determination of thermodynamic constants, DG, DS, and DH for the reaction by e.m.f. method.
Zn + H2SO4 -> ZnSO4 + 2 H
- Determination of rate constant for hydrolysis/inversion of sugar using a polarimeter.
- Enzyme kinetics-inversion of sucrose.
- Vogel's Textbook of Quantitative Analysis, revised, J. Bassett, R.C. Denney, G.H. Jeffery and J. Mendham, ELBS.
- Synthesis and Characterization of Inorganic Compounds, W.L. Jolly. Prentice Hall.
- Experiments and Techniques in Organic Chemistry, D.P. Pasto, C. Johnson and M. Miller, Prentice Hall.
- Macroscale and Microscale Organic Experiments, K.L. Williamson, D.C. Health.
- Systematic Qualitative Organic Analysis, H. Middleton, Adward Arnold.
- Handbook of Organic Analysis-qualitative and Quantitative. H. Clark, Adward Arnold.
- Vogel's Textbook of Practical Organic Chemistry, A.R. Tatchell, John Wiley.
- Practical Physical Chemistry, A.M. James and F.E. Prichard, Longman.
- Findley's Practical Physical chemistry, B.P. Levitt, Longman.
- Experimental Physical Chemistry, R.C. Das and B. Behera, Tata McGraw Hill.