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MSc Chemistry Syllabus of Calcutta University
CH1CO1 – THEORETICAL CHEMISTRY – I (4 Credits) (72 h)
UNIT I : The Foundations of Quantum Mechanics (9 h) . Historical
background of quantum mechanics. Detailed discussion of postulates of
quantum mechanics – State function or wave function postulate, Born
interpretation of the wave function, well behaved functions,
orthonormality of wave functions; Operator postulate, operator algebra,
linear and nonlinear operators, Laplacian operator, Hermitian
operators and their properties, eigen functions and eigen values of an
operator; Eigen value postulate, eigen value equation, eigen functions of
commuting operators; Expectation value postulate; Postulate of time -
dependent Schrödinger equation of motion, conservative systems and
time-independent Schrödinger equation.
UNIT II : Quantum mechanics of translational & vibrational motions
(9 h). Particle in a one-dimensional box with infinite potential walls,
important features of the problem; Free particle in one -dimension;
Particle in a one-dimensional box with finite potential walls (or particle
in a rectangular well) – tunneling; Particle in a three dimensional box,
separation of variables, degeneracy.
One-dimensional harmonic oscillator (complete treatment): - Method of
power series, Hermite equation and Hermite polynomials, recursion
relation, wave functions and energies, important features of the
problem, harmonic oscillator model and molecular vibrations.
UNIT III : Quantum mechanics of Rotational motion (9 h) . Co-ordinate
systems:- Cartesian, cylindrical polar and spherical polar coordinates
and their relationships. Rigid rotator (complete treatment): The wave
equation in spherical polar coordinates, planar rigid rotor (or particle on
a ring), the Phi-equation, solution of the Phi-equation, handling of
imaginary wave functions, wave functions in the real form; Non -planar
rigid rotor (or particle on a sphere), separation of variables, the Phiequation
and the Theta-equation and their solutions, Legendre and
associated Legendre equations, Legendre and associated Legendre
polynomials, Rodrigue's formula, spherical harmonics (imaginary and
real forms), polar diagrams of sphe rical harmonics.
Quantization of angular momentum, quantum mechanical operators
corresponding to angular momenta ( L x, Ly, Lz, ), commutation relations
between these operators, spherical harmonics as eigen functions of
angular momentum operators L x & Lz, Ladder operator method for
angular momentum, space quantization.
UNIT IV : Quantum Mechanics of Hydrogen -like Atoms (9h). Potential
energy of hydrogen-like systems, the wave equation in spherical polar
coordinates, separation of variables, the R, Theta a nd Phi equations and
their solutions, Laguerre and associated Laguerre polynomials, wave
functions and energies of hydrogen-like atoms, orbitals, radial functions
and radial distribution functions and their plots. angular functions
(spherical harmonics) an d their plots. The postulate of spin by
Uhlenbeck and Goudsmith, Dirac's relativistic equation for hydrogen
atom and discovery of spin (qualitative treatment), spin orbitals,
construction of spin orbitals from orbitals and spin functions.
UNIT V : Approximation methods in quantum mechanics (9 h) . Manybody
problem and the need of approximation methods; Independent
particle model; Variation method – variation theorem with proof,
illustration of variation theorem using a trial function [e.g.,
x (a-x)] for particle in a 1D-box and using the trial function e -r2 for the
hydrogen atom, variation treatment for the ground state of helium
atom; Perturbation method – time-independent perturbation method
(non-degenerate case only), illustration by application to particle in a
ID-box with slanted bottom, perturbation treatment of the ground state
of the helium atom.
UNIT VI : Quantum mechanics of many -electron atoms (9 h). Hartree
Self-Consistent Field method for atoms; Spin orbitals for many electron
atoms, symmetric and antisymmetric wave functions, Pauli's
antisymmetry principle; Slater determinants; Hartree -Fock Self-
Consistent Field (HF-SCF) method for atoms, Hartree -Fock equations
(derivation not required) & the Fock operator; Roothan's concept of
basis functions – Slater type orbitals (STO) and Gaussian type orbitals
UNIT VII : Chemical bonding in diatomic molecule (9 h) . Schrödinger
equation for a molecule, Born – Oppenheimer approximation; Valence
Bond (VB) theory – VB theory of H2 molecule, singlet and triplet state
functions (spin orbitals) of H 2; Molecular Orbital (MO) theory – MO
theory of H2+ ion, MO theory of H2 molecule, MO treatment of
homonuclear diatomic molecules – Li2, Be2, C2, N2, O2 & F2 and hetero
nuclear diatomic molecules – LiH, CO, NO & HF, bond order,
correlation diagrams, non-crossing rule; Spectroscopic term symbols for
diatomic molecules; Comparison of MO and VB theories.
UNIT VIII : Chemical Bonding in polyatomic molecules (9 h) .
Hybridization – quantum mechanical treatment of sp, sp2 & sp3
hybridisation; Semi empirical MO treatment of planar conjugated
molecules – Hückel Molecular Orbital (HMO) theory of ethylene,
butadiene & allylic anion, charge distributions and bond orders from
the coefficients of HMO, calculation of free valence, HMO theory of
aromatic hydrocarbons (benzene); formula for the roots of the Hückel
determinantal equation, Frost -Hückel circle mnemonic device for cyclic
1. F.L. Pilar, Elementary Quantum Chemistry , McGraw-Hill, 1968.
2. I.N. Levine, Quantum Chemistry, 6th Edition, Pearson Education Inc.,
3. I.N. Levine, Student Solutions Manual for Quantum Chemistry 6 th
Edition, Pearson Education Inc., 2009.
4. P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics , 4th
Edition, Oxford University Press, 2005.
5. M.W. Hanna, Quantum Mechanics in Chemistry , 2nd Edition, W.A.
Benjamin Inc., 1969.
6. Donald, A. McQuarrie, Quantum Chemistry, University Science Books,
1983 (first Indian edition, Viva books, 2003).
7. Thomas Engel, Quantum Chemistry & Spectro scopy, Pearson
Education, 2006.
8. J.P. Lowe, Quantum Chemistry, 2nd Edition, Academic Press Inc., 1993.
9. Horia Metiu, Physical Chemistry – Quantum Mechanics, Taylor &
Francis, 2006.
10. A.K. Chandra, Introduction to Quantum Chemistry , 4th Edition, Tata
McGraw-Hill, 1994.
11. L. Pauling and E.B. Wilson, Introduction to Quantum Mechanics ,
McGraw-Hill, 1935 (A good source book for many derivations).
12. R.L. Flurry, Jr., Quantum Chemistry, Prentice Hall, 1983.
13. R.K. Prasad, Quantum Chemistry, 3rd Edition, New Age International,
14. M.S. Pathania, Quantum Chemistry and Spectroscopy (Problems &
Solutions), Vishal Publications, 1984.
15. C.N. Datta, Lectures on Chemical Bonding and Quantum Chemistry ,
Prism Books Pvt. Ltd., 1998.
16. Jack Simons, An Introduction to Theoretical Che mistry, Cambridge
University Press, 2003.
UNIT I : (9 h). Acid base theories – strength of acids and bases, Factors
governing acid strength, solvent leveling, effect of hard and soft acids
and bases, super acids, chemistry of non aqueous solvents – liquid NH3,
SO2, H2SO4 and HF. Heterogeneous acid -base reactions – surface
acidity, Solid and molten acids in industrial processes.
UNIT II (9 h). Electron deficient compounds – synthesis, reactions, structure
and bonding. Boron hydrides, styx numbers, Boron cluster compounds,
Wade's rule, Hydroborate anions, Organoboranes and hydroboration,
Polyhedral anions, Carboranes, Metalloboranes, Borazine s and Borides.
UNIT III (9 h). Phosphorus-nitrogen compounds; Phosphazene, cyclo- and
linear phosphazenes. Phosphorus -sulphur compounds; Sulphurnitrogen
ring and chain compounds – synthesis, structure, bonding and
uses. Silicones – Synthesis, structure and applications. Carbides and
silicides. Silicates and alumino silicates – framework of silicates,
structure and application,
UNIT IV (9 h). Standard reduction potentials and their diagrammatic
representations Ellingham diagram. Latimer and Frost diagram .
Pourbaux diagrams. Metallic corrosion and passivity, Isopoly and
heteropoly anions of early transition metals.
UNIT V (9 h). Errors and treatment of analytical data, limitations of
analytical methods, accuracy and precision, classification and
minimization of errors, significant figures, standard deviation,
statistical treatment of data, students tests, confidence limit, Q test,
Method of least squares.
UNIT VI (9 h). Theory Indicators, Acid-base, redox, absorption,
complexometric and luminescent indica tors, Titrations in non-aqueous
solvents, Complex formation titrations, Principles of gravimetric
analysis, Formation and properties of precipitates, Co -precipitation,
Precipitation from homogeneous solution, Washing of the precipitate,
ignition of the precipitate, Fractional precipitation, Organic
UNIT VII (9 h). Introduction to co-ordination Chemistry – Stereochemistry of
coordination compounds. Formation constants, factors influencing
stability, methods of determination of stability consta nts, stabilization
of unusual oxidation states. Chelate -macrocyclic and template effects,
ambidentate and macrocyclic ligands. Valence bond theory and its
UNIT VIII (9 h). The crystal field and ligand field theories, orbital splitting
in octahedral, tetrahedral and square planar fields. Factors affecting
crystal field splitting, spectrochemical and nephelauxetic series, Racah
parameters, Jahn-Teller effect, MO theory – composition of ligand
group orbitals. MO diagram of complexes with and wi thout pi-bonding.
The f-orbitals and f-block complexes.
1. D.F. Shriver, P.W. Atkins and C.H. Langford, Inorganic Chemistry,
ELBS, 1990.
2. J.E. Huheey, e.A. Keiter and R.L. Keiter, Inorganic Chemistry,
Principles, Structure and Reactivity , Pearson Education, 1990.
3. F.A. Cotton and G. Wilkinson, Advanced Inorganic Chemistry , 5th
Edition, John Wiley and Sons, 1988.
4. B. Douglous, D.H. McDanials and J.J. Alexander, Concepts and Models
in Inorganic Chemistry, Oxford and IBH Publishing Co. Pvt. Ltd., 1965.
5. L.V. Azaroff, Introduction to Solids, McGraw Hill, NY, 1960.
6. G.H. Jeffery, J. Bassett, J. Mendham and R.C. Denny, Vogel's Text book
of Quantitative Chemicals Analysis , 5th Edition, ELBS, 1989.
7. Skoog, West and Holler, Fundamentals of Analytical Chenustry, 8th
Edition, Thomson and Brooks, 2004.
8. C.E. Houecroft, Cluster molecules of p-block elements. Oxford Scientific
Publications, 1994.
9. D. Sutton, Electronic Spectra of Transition Metal Complexes , McGraw
Hill, 1968.
10. J.C. Blair, Jr. (Ed.), The Chemistry of Coordination Compounds ,
Reinhold Pub. Cor., 1960.
11. L.F. Lindoy, The Chemistry of Macrocyclic Ligands and Complexes ,
Cambridge University Press, 1989.
12. J.D. Lee, Concise Inorganic Chemistry, 5th Edition, Oxford University
Press, 2008.
13. Wahid U Malik, G.D. Tuli, R.D. Madan, Selected Topics in Inorganic
Chemistry, S. Chand and Company Reprint 2009.
CH1CO3 – ORGANIC CHEMISTRY – I (4 Credits) (72 h)
UNIT I : (9 h). Delocalized chemical bonding, Electron Delocalization,
Resonance and Aromaticity: Qualitative application of Huckel MO
theory and perturbation theory to systems containing delocalized
electrons. Delocalized electrons and Resonance, Resonance hybrid an d
resonance energy. Criteria for Aromaticity and Antiaromaticity, MO
description of Aromaticity and Antiaromaticity. Homoaromaticity,
Mobius twist and Aromaticity. Aromaticity of Annuelens and
heteroannulenes, Fullerines, and fused ring systems. Stability of
benzylic cations and radicals. Effect of delocalized electrons on pKa.
Hydrogen bonding: Inter- and intramlecular hydrogen bonding. Range
of the energy of hydrogen bonding. Effect of hydrogen bond on
conformation, physical and chemical properties of o rganic compounds,
vilatility, acidity, basicity and stability of hydrates of carbonyl
compounds. Stabilization of hydrates of glyoxal and chloral, and
ninhydrin. High acid strength of maleic acid compared to fumaric acid.
UNIT II : (9 h). Basic concepts in the study of organic reaction mechanisms:
Application of Experimental criteria to mechanistic studies,
Thermodynamic and kinetic data, Curtius -Hammet principles, Kinetic
versus thermodynamic control. Acidity constant, Hammet acidity
function. Reactive intermediates and their characterizatin. Isotope
effect (labeling experiments), Stereochemical correlations.
Neighbouring group participation, participation of carboxylate ion,
halogen, hydroxyl group, acetoxy group, phenyl group and pi -bond.
Structure and reactivity, Transition state theory, Potential energy vs
Reaction co-ordinate curve, Substituent effects (inductive, mesomeric,
inductomeric, electomeric and field effects) on reactivity. Qualitative
study of substitution effects in SN1 -SN2 reactions. Semiquantitative
study of substituent effects on the acidity of carboxylic acids.
Quantitative correlation of substituent effects on reactivity. Linear free
energy relationships. Hammet and Taft equation for polar effects and
Taft's steric, substituent constant for steric effect.
References: (Unit I and II)
1. J. March, Advanced Organic Chemistry , 4th Edition, John Wiley and
Sons, 1992.
2. T.H. Lowry and K.S. Richardson, Mechanism and Theory in Organic
Chemistry, Harper Collins, 1987.
3. F.A. Carey and R.J. Sundberg, Advanced Organic Chemistry (Parts A &
B), 3rd Edition, Plenum Press, 1990.
4. R.A.Y. Jones, Physical and Mechanistic Organic Chemistry , Cambridge
University Press, 1979.
UNIT III : Isomerism-I (9 h): Concept of Chirality, Recognition of symmetry
elements and chiral structures, Conditions for optical activity, Optical
purity, Specific rotation and its variation in sign and magnitude under
different conditions, Relative and absolute configurations, Fisher
projection formula, Sequence rule – R and S notations in cyclic and
acyclic compounds.
Optical isomerism of compounds containing one or more asymmetric
carbon atoms, Enantiotopic, Homotopic, Diastereotopic hydrogen atoms,
Prochiral centre.
Optical isomerism in Biphenyls, Allenes and Nitrogen and Sul phur
compounds, Conditions for optical activity, R and S notations.
Restricted rotation in biphenyls – Molecular overcrowding. Chirality
due to folding of helical structures.
Geometrical isomerism – E and Z notation of compounds with one and
more double bonds in acyclic systems. Methods of determination of the
configuration of geometrical isomers in acyclic acid cyclic systems, inter
conversion of geometrical isomers.
Stereochemistry of Aldoximes and ketomines – Naming – isomerism –
methods of determining configurations.
UNIT IV : Isomerism-II (9 h): Asymmetric Synthesis: The chiral pool:
Alpha amino acids in the synthesis of benzodiazepines, carbohydrates
(benzyl D mannose to Swainsonine/preparation of tomolol from D -
mannitol), Felkin-Ahn model and Cram's chelation control.
Chiral auxiliaries: Oxazolidinones, Chiral sulfoxides in controlling the
reduction of ketones, Camphor derivative in Diels Alder reaction and
radical reactions.
Chiral reagents: BINOL, tartrates, lithium di(1 -phenyl ethyl) amide.
Chiral catalysts: Rhodium and ruthenium catalysts with chiral
phosphine ligands like (R)BINAP, (R,R)DIOP. Enzymatic methods.
1. J. March, Advanced Organic Chemistry , 4th Edition, John Wiley and
Sons, 1992.
2. Nasipuri, Stereochemistry of Organic Compounds, 2nd Edition, New Age
3. Kalsi, Stereochemistry of Organic Compounds , Wiley Eastern.
4. J. Clayden, N. Greeves, S. Warren and P. Wothers, Organic Chemistry,
Oxford University Press, 2001.
5. E. Eliel and S.H. Wilen, Stereochemistry of Organic Compounds, John
Wiley, 1994.
UNIT V : Conformational Analysis – I (9 h): Difference between
configuration and confirmation. Internal factors affecting the stability
of molecules – dipole interaction, bond opposition strain, bond angle
strain. Perspective and Newman projections – representation of
different conformations. Conformation of acyclic compounds – Ethane,
n-butane, alkene dihalides,glycols, chloro hydrines, tartaric acid,
erythro and threo isomers, aldehydesand ketones (acetaldehyde,
Interconversion of axial and equatorial bonds in chair conformation –
distance between the various H atoms and C atoms in both chair and
boat conformations. Monosubstituted cyclohexane – methyl and t-butyl
cyclohexanes – flexible and rigid systems . Conformation of
disubstituted cyclohexanes (1:1; 1:2; 1:3 and 1:4). Conformation of
substituted cyclohexanone -2-bromocyclohexanone, dibromocyclo
hexanone, (cis & trans), 2-bromo-4,4-dimethyl cyclohexanone.
Anchoring group and conformationaly biased molec ules. Conformations
of 1:4 cis and trans disubstituted cyclohexanes in which one of the
substituent is 1-butyl and their importance in assessing the reactivity
of an axial or equatorial substituent. Conformations of decaline,
adamentane, sucrose and lactos e.
UNIT VI : Conformational Analysis – II (9 h): Effect of conformation on
the course and rate of reactions in (a) Debromination of dl and meso 2,3 -
dibromobutane or stilbene dibromide using KI. (b) Semipinacolic
deamination of erythro and threo 1,2 -diphenyl-1-(p-chlorophenyl)-2-
amino ethanol. (c) Action of methyl magnesium bromide on 2 -
phenylpropionaldehyde (Stereo chemical direction of asymmeetric
induction). (d) Dehydrohalogination of stilbenedihalide (dl and meso)
and erythreo threo- bromo-1,2-diphenyl propane.
Effect of conformation on the course and rate of reactions in
cyclohexane systems illustrated by: (a) S N2 and SN1 reactions for (i) an
axial substituent, and (ii) an equatorial substituent in flexible and rigid
systems. (b) E1, E2 eliminations il lustrated by the following
compounds. (i) 4-t-Butylcyclohexyl tosylate (cis and trans) (ii) 2 -
Phenylcyclohexanol (cis and trans) (iii) Menthyl and neomenthyl
chlorides and benzene hexachlorides. (c) Pyrolytic elimination of esters
(cis elimination) (d) Semipinacolic deamination of cis and trans -2-
aminocyclohexanol (e) Esterification of axial as well as equatorial
hydroxyl and hydrolysis of their esters in rigid and flexible systems.
(Compare the rate of esterification of methanol, isomenthol, neomenthol
and neoisomenthol). (f) Esterification of axial as well as equatorial
carboxyl groups and hydrolysis of their esters. (g) Hydrolysis of axial
and equatorial tosylates. (h) Oxidation of secondary axial and
equatorial hydroxyl group to ketones by chronic acid.
UNIT VII : (i) Reactions of Carbon -heteromultiple bonds (7 h):
Addition of carbon-oxygen multiple bond: Addition of water, alcohols,
amines and hydrazine. Aldol, Perkin, Clainson, Dieckmann, Stobbe and
benzoin condensation. Darzons, Knoevenagel, Reforma tosky, Wittig,
Cannizaro, Mannich and Prins reactions. MPV reduction and
Oppenaur oxidation. Cram's rule. Hydrolysis, alcoholysis and reduction
of nitriles. Ritter reactin and Thorpe condensation.
(ii) Esterification and Hydrolysis (2 h) : Mechanism of Ester
hydrolysis and esterification, Acyl -oxygen and alkyl oxygen cleavage.
Esterification of axial and equatorial alcohols and acids – their
1. J. March, Advanced Organic Chemistry , 4th Edition, John Wiley and
Sons, 1992.
2. Morrison & Boyd, Organic Chemistry, Prentice Hall.
3. F.A. Carey and R.J. Sundberg, Advanced Organic Chemistry *Parts A &
B), 3rd Edition, Plenum Press, 1990.
4. E.S. Gould, Mechanism and structure in organic chemistry , Holt,
Rinehart and Winston, 1959.
UNIT VIII : Introduction to Polymer Chemistry ( 9 h): Classes of
polymers, Synthetic and biopolymers. Synthetic polymers: Chain
reaction polymerization and step reaction polymerization. Linear,
crosslinked and network polymers. Copolymers, Free -radical and ionic
polymerization. Natural and synthetic rubbers.
Biopolymers: Primary, secondary and tertiary structure of proteins,
Solid phase peptide synthesis, Protecting groups, Sequence
determination of peptides and proteins, Structure and synthesis of
glutathione, Structure of RNA and DNA, Structure of cellulose and
starch, Conversion of cellulose to Rayon.
1. Saunders, Organic Polymer Chemistry, Chapman and Hall.
2. S.H. Pine, J.B. Hendrickson, D.J. Cram and G.S. Hammond, Organic
Chemistry, McGraw Hill International B ook Company, 1981.
3. I.L. Finar, Organic Chemistry, Vol. II, 5th Edition, ELBS, 1975.
4. Jordean, The Chemistry of Nucleic Acids , Buttorworths.

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