Syllabus for M.Sc.

Physical Chemistry
Semester III:

Semester-III
Paper Code Title of the paper
PHCH-371 Solid State Chemistry
PHCH-372 Advanced Quantum Chemistry
Elective Group-A
OCH-353 Organic Spectroscopy
PHCH-374(A) Statistical Thermodynamics
Elective Group-B
PHCH-373(B) Chemical Dynamics
PHCH-374(B) Macromolecules
Elective Group-C
PHCH-373(C) Chemical Kinetics
PHCH-374(C) Physico-Chemical Techniques
PHCH-375 Laboratory course-1
PHCH-376 Laboratory course-2
Semester-IV
Paper Code Title of the paper
PHCH-471 Biophysical Chemistry
PHCH-472 Electrochemistry
Elective Group-A
PHCH-473(A) Photochemistry
PHCH-474(A) Radiation Chemistry
Elective Group-B
PHCH-473(B) Chemistry of Materials
PHCH-474(B) Catalysis and Surface Chemistry
Elective Group-C
PHCH-473(C) Chemistry of Materials
PHCH-474(C) Recent trends in Physical Chemistry
PHCH-475 Laboratory course
PHCH-476 Project
 Physical Chemistry Semester III (Core Papers)

PHCH-371: Solid State Chemistry

1. Solid state reactions

General principles, experimental procedures, co-precipitation as precursor to solid state
reactions, kinetics of solid state reactions

2. Crystal defects and Non-Stoichiometry

Perfect and imperfect crystals, intrinsic and extrinsic defects – point defects, line and point
defects, vacancies-Schottky defects and Frenkel defects, Thermodynamics of Schottky and
Frenkel defect formation colour centres, non-stoichiometry and defects, LRO and SRO

3. Electronic, Optical and Magnetic Properties

Metals, Insulators and semiconductors, electronic structure of solids band tjeory, band
structure of metals, insulators and semiconductors, intrinsic and extrinsic semiconductors,
doping semiconductors, p-n junctions, superconductors.
Optical properties-optical reflectance, photoconduction-photoelectric effect
Magnetic properties- classification of materials, quantum theory of paramagnetics,
cooperative phenomenon, magnetic domains hysteresius

4. Organic solids
Electrically conducting solids, organic charge transfer complex, organic metals, new
superconductors

Books referred
1. Solid State Chemistry and its Applications, A. R. West Plenum
2. Principles of the Solid State, H, V, keer, Wiley Eastern
3. Solid State Chemistry N. B. Hannay
4. Solid State Chemistry D. K. Chakrabarty, New Age International
5. Chemistry of engineering materials.
PHCH-372: Advanced Quantum Chemistry

1. Theoretical and Computational Treatment of Atoms and Molecules, Hartree-Fock

Theory
Review of the principles of quantum mechanics, Born-Oppenheimer approximation, Slator-
Condon rule, Hartree-Fock equation, Koopmans and Brillouin theories, Roothan equation,
Gaussian basis sets

2. Configuration Interaction and MC-SCF

Introduction to CI, full and truncated CI theories, size consistency, introductory treatment
of coupled cluster and MC-SCF methods

3. Semi-empirical theories
A review of the huckel, EHT and PPP treatments, ZDO approximation, detailed treatment of
CNDO and INDO theories. A Discussion of electronic energy and properties, An introduction
to MOPAC and AM1 with hands on experience on PC

4. Density functional theory

Derivation of Hohenberg-Kohn theorem, Kohn-Sham formulation, N and V
representabilities review of the performance of the existing local (e.g. slater and other
methods) and non-local functionals, treatment of chemical concepts with the density
functional methods

Books suggested
1. Modern quantum chemistry, N. A. Ostuland and A. Szabo, MCgraw Hill
2. Methods of molecular quantum mechanics R. Mcweeny and B. E. Suteliffe, Academic
press
3. Density functional theory of Atoms and Molecules R. G. Parr and W. Yang Oxford
4. Exploring chemistry with electron structure methods J. B. Foresman and E. Frish,
Gaussian Inc.
PHCH-373 Statistical Thermodynamics
1. Background concepts
Combinatorial problems, number ways in which particles can be arranged in order or
placed in container, the situations of this distribution in Boltzman, Fermi-Dirac and Bose-
Einstein statistics, illustrations stirling approximation, Lagrange method of undetermined
multipliers, distribution and most probable distribution, problems

2. Statistical Mechanics of a system of Independent Particles

Introduction: distribution laws, partition functions and its significance, limit of applicability
of various distribution laws, relation between partition function and thermodynamics
function, illustrative examples and problems

3. Types of Statistics
Maxwell-Boltzman statistics, Fermi-Dirac statistics and Bose-Einstein Statitics

4. Application of statistical Mechanics

a. Ideal gases: Partition function of a monoatomic gas, thermodynamics function of a
molecule, heat capacity and the residual entropies of polyatomic molecules
b. Solids: Introduction, thermal characteristics of crystalline solids, Einstein model, Debye
modifications, limitations and modifications of Debye theory and comparision between
Debye theory and Einstein model
c.Solutions: Introduction, lattice models, ideal solution, non-ideal solutions, polymer
solutions

5. Nuclear spin Statistics:

Introduction, the mean symmetry and the nuclear-spin, ortho and para nuclear states,
ortho and para hydrogen, nuclear spin statistics of deuterium

6. Fluctuations
Introduction, the mean distribution and mean square deviation, fluctuation in energy in a
canonical ensemble, fluctuations in density and radioactive disintegrations, the Brownian
movement, Problems.
Books Suggested:
1. Statistical Thermodynamics, Donald A Mc Quarrie, Happer and Row, Newyork, 1973
2. Statistical Thermodynamics, M. C. Gupta, Wiley Eastern Ltd, New Delhi
3. Elements of Statistical Thermodynamics, L. K. Nash, Addison Wesley, Menlo park
4. Text book of Physical Chemistry, Samuel M. Glasstone
5. Physical Chemistry, P. W. Atkins (ELBS).
6. Theoretical Physical Chemistry, S. M. Glasstone

PHCH-374 (A): Physico-Chemical Techniques

1. X-ray methods
Generation and properties of X-rays, generation of X-rays, -spectra, X-ray absorption,
Concept of absorption edge, application, X-ray absorptive apparatus, radiography and
radiotherapy, applications, X rays fluorescence, fundamental principles, instrumentation,
wavelength dispersive and energy dispersive, quantitative analysis, X-ray emission,
fundamental principles, X ray diffraction, powder diffractometer, applications in material
science, electron microprobe, further advanced techniques, Introduction to STEM, SEM.

2. XPS( X-ray photoelectron spectroscopy) : Theory satellite peaks, chemical shift,

apparatus, chemical analysis, using ESCA, AES-fundamental principles UPS.

3. Luminescence, chemiluminescence, gas phase, liquid phase chemiluminescence,

apparatus, bioluminescence, electrochemiluminescence.

4. Mass spectrometry: Theory, instrumentation-basic components, ionization sources,

analyzers, resolution, chemical analysis, advanced techniques-GC/MS, MS/MS introduction.

5. Neutron Activation Analysis : Principle, target, matrix, cross-section, fluxes, saturation

activity, excitation function, Different steps involved in NAA, radiochemical and
instrumental NAA, prompt radiation and pulse neutron activation analysis, applications.

6. Inductively coupled plasma atomic emission spectroscopy: principle,

instrumentation, analysis and applications.
7. Thermal methods of analysis: TGA, DTA, DSC and thermometric titrations – principle,
instrumentation, factors affecting TGA curve, applications.

8. Radiometric titrations: Principle, types and instrumentation.

Text Books
1. Introduction to Instrumental Analysis- R. D. Braun, Pharmamed Press, Indian Reprint
(2006)
2. Principles of Instrumental Analysis, 5th edition- D.A. Skoog, F.J. Holler, T.A. Nieman,
Philadelphia Saunders College Publishing (1988)
3. Principles of activation analysis - P. Kruger , John Wiley (1971)
4. Nuclear analytical chemistry- J. Tolgyessy and S. Verga Vol. 2 , University park press
(1972)

PHCH-373 (B) Chemical Dynamics

1. Molecules in Motion
a) Molecular motion in gases: collision with walls and surface rate of effusion,
migration down gradients, transport properties of a perfect gas
b) Motion in liquids: Structure of liquids, molecular motion in liquids, conductivities of
electrolyte solution, mobilities of ions conductivities and ion-ion interactions
c) Diffusion: a thermodynamic view, the diffusion equation, diffusion probabilities,
statistical view, problems on every concept

2. Rate of chemical Reactions

Experimental techniques rates of reactions, integrated rate laws, reactions approactive
equilibrium, temperature dependence of reaction rates, according for the rate laws,
elementary reactions, consecutive elementary reactions, unimolecular reactions, problems

3. Kinteics of Complex reactions

a) Chain reactions: Structure of chain reactions, explosions, photochemical reactions
b) Ploymerisation Kinetics: Chain Polymerisation, stepwise Polymerisation
c) Catalysis and Oscillations: Homogenous catalysis, autocatalysis, oscillating
reactions, chemical chaos, problems
4. Molecular reaction Dynamics:
a) Reactive encounters: Collision theory, diffusion controlled reactions
b) Activated complex theory: The reactions coordinate and transition state, Erying
equation, thermodynamic aspects of activated complex theory
c) Dynamics of Molecular collisions: reactive collisions, potential energy surfaces, problems

Books suggested
1. Physical Chemistry, P. W. Atkins (ELBS)
2. Chemical Kinetics, K. J. Laidler, Tata Mc Graw-Hill Publishers
3. Reaction Mechanisms and Chemical transformations, J. Rajaram and K. Kuriakose
4. Chemical kinetics, J. P. Agrawal

PHCH-374 (B) Macromolecules

Recapitulation
Polymers and their classification and nomenclature. Types of polymerization. Molecular
weight and size, degree of polymerization, polydispersity. Practical significance of polymer
molecular weight.

Kinetics of polymerization
Kinetics and statistics of step growth polymerization, size distribution in linear polymers,
nonlinear polymerization and prediction of gel point. Kinetics of free radical chain
polymerization, cationic polymerization, anionic polymerization and polycondensation.

Structure of macromolecules
Polymer crystals: crystallization in polymers, factors determining crystal structure.
Morphology of solution grown single crystal and bulk grown crystal. Semi-crystalline
polymers: spherulites, degree of crystallinity, crystallization and melting. Kinetics of
crystallization. Molecular mechanism of crystallization, factors affecting melting.

Amorphous polymers: Structure in amorphous polymers.

Polymer microstructure
Microstructure based on chemical structure and geometrical structure. Meaning of glass
transition temperature (Tg), factors influencing the glass transition temperature,
importance of glass transition temperature Tg and molecular weight, Tg and melting point

Polymer solutions
Process of polymer dissolution, Thermodynamics of polymer dissolution. The Flory-
Higgins Theory of polymer solutions, nature of polymer molecules in solution. Viscosity of
polymer solutions. Colligative properties. Conformations and configurations of polymers in
solutions.

Electrically conducting polymers

Discovery of electrically conducting polymers, Factors affecting the conductivity of
conducting polymers. Electrochemical polymerization. Doping of conducting polymers.
Important structural features. Nature of charge carriers in conducting polymers: solitons,
polarons and bipolarons. Mechanism of conduction in polymers.

Electronic structure of polymers

Band theory of polymers. Methods for determining band structure of polymers: An
introduction.
Designing of conducting polymers: Substitution, copolymerization. Donor-acceptor
polymerization; ladder polymerization, topological routes. Applications of conducting
polymers.

Stimuli-sensitive (smart) polymers

pH- and temperature-sensitive smart polymers and their applications in biotechnology and
medicine.
Degradable polymers: Types of degradable polymers, Chemical and biodegradation.
Applications of degradable polymers.

Recommended Texts:
1. DeGennes, P. G. Scaling Concepts in Polymer Physics Cornell University Press (1979).
2. Young, R. J. & Lovell, P. A. Introduction to Polymers 2nd Ed. Chapman & Hall (1991).
PHCH-373 (C): Chemical Kinetics

1. Reactions at liquid surfaces: introduction, Cage effect, Friction and diffusion, Langevin
Equation, diffusion control, ionic strength and electron transfer, Marcus Theory,
Temperature jump and ultrafast laser techniques

2. Reactions at Solid Surfaces: Adsorption and desorption, Competetive adsorption,

catalysis, unimolecular and bimolecular surface reactions, ACT of surface reactions, surface
diffusion, Temperature Programmed desorption and modulated molecular beam methods
Molecular Reaction Dynamics, collisions, Potential energy surfaces, trajectory and
semiclassical calculations. Molecular energy (translational, rotational, vibrational,
electronic) transfer, reactive collisions- orientation, bond-selective Chemistry, Potential
energy surfaces from Spectroscopic Information, van der Waals Complexes
: Hydrogen ion dependence of reaction rates: Protonation and hydrolysis equilibria,
determination of active reactant species form kinetic data, interpretation of hydrogen ion
effect with example.

3. Electron transfer reaction: Complimentary and non-complimentary reactions, outer

and inner-sphere electron transfer reactions, proton transfer, hydride transfer and
hydrogen, oxygen and chlorine atom transfer reactions.

4. Catalysis: Trace metal ion catalysis and their mechanisms. Micellar catalysis, Berezini,
Menger-Portonoy, cooperative and pseudo-phase ion exchange models and examples.
Reactions in solution: Oxidation –reduction reactions: One-electron & two-electron transfer
reactions. Inner sphere & outer-sphere reactions, complimetntary two equivalent changes (
Tl+-Tl3+ exchange). Unstable oxidation states. Tests for Marcus Hush theory.

5. Organic reaction mechanisms: Linear free energy relationships: Hammet Plots,

hammet equation, substituent and reaction constants and their physical significance,
calculation of k and K values, Yukawa-Tsuno equation. Taft equation, steric parameters,
Solvent effects, Grunwald-Winstein equation.
REFERENCE BOOKS
1) Chemical Kinetics by K. J. Laidler.
2) Kinetics and Mechanism by A. A. Frost and R. G. Pearson
3) Micellar effect on the kinetics and mechanism of chromium(VI) oxidation of organic
substrates By Asim K. Das, Coordination Chemistry Reviews,Vol 248, p 81-89 ( 2004 ).
4) Some aspects of electron transfer reactions involving organic molecules by B. Sethuram,
Allied Publishers, 2003.
5) Surfactants and polymers in aqueous solution by Bo Jonsson, Bjorn Lindman, Krister
Holmberg and Bengt Kronberg, John-Wiley & Sons, 1998.
6) Inorganic reaction mechanisms, Part II Edited by John O. Edwards, Interscience, 1972.

PHCH-471: Biophysical Chemistry

1. Biological cell and its Constituents

Biological cell structure and functions of proteins, enzymes, DNA and RNA in living
systems, helix-coil transition

2. Bioenergetics
Standard free energy change in biochemical reactions, exergonic, endergonic, hydrolysis of
ATP, synthesis of ATP from ADP

3. Statistical Mechanics in Bioploymers

Chain configuration of macromolecules, statistical distribution, end to end dimensions,
calculation of average dimension of various chain structures, polypeptide and protein
structures, introduction to protein folding problem

4. Biopolymer Interactions
Forces Involved in biopolymer interactions, electrostatic charges and molecular expansion,
hydrophobic forces, dispersion force interactions, multiple equilibria and various types of
binding processes in biological systems, hydrogen ion titration curves

5. Thermodynamics of Biopolymer solutions

Thermodynamics of biopolymer solutions, osmotic pressure, membrane equilibrium,
muscular contraction and energy generation in mechanochemical system.
6. Cell membrane and transport of ions
Structure and functions of cell membrane, ion transport through cell membrane,
irreversible thermodynamic treatment of membrane transport, Nerve conduction

7. Biopolymers and their molecular weights

Evaluation of size, shape, molecular weight and expect of hydration of biopolymer by
various experimental techniques, sedimentation equilibrium, hydrodynamic methods,
diffusion, sedimentation velocity, viscosity, electrophoresis and rotational motions

Books suggested
1. Principles of Biochemistry, A. L. Lehniger, Worth Publisher
2. Biochemistry, L. Stryer, W. H. Freeman
3. Biochemistry, J. Devidrawn, Neil Patterson
4. Biochemistry, Veot, John Wiley
5. Qutines of Biochemistry, E. E. Conn, P. K. Stumpf, John Wiley
6. Bioinorganic Chemistry, A Chemical Approach to enzyme Action, H. Dugas, C. Penny,
Springer-Verlag
7. Macromolecules structure and function, F. Would, Prentice Hall

PHCH-472: Electrochemistry

1. Introduction
Basic introduction to electrolytic conductance, theory of electrolytic distortion, mechanism
of electrolytic conductance and the migration of ions, problems

2. Free Energy and Activity

Activity and activity coefficient, equilibrium and free energy changes, Debye-Huckel theory,
Debye-Huckel limiting law, Debye-Huckel equation of appreciable concentration, Huckel
and Bronted equation, qualitiative verification of appreciable concentrations, Huckel and
Bronsted equation, quantitative verification of Debye-Huckel equation, tests of Debye-
Huckel limiting equation, activities in concentration solutions, extension of Debye-Huckel
theory, ion association, equilibria in electrolytes, strong intermediates and weak
electrolytes, solubility, solubility product principle, solubility for common ions and
complex ion, determination of instability constant, activity coefficient from solubility,
measurement solubility, measurements solubility and Debye-Huckel theory, Problems

3. Reversible Cells
a. Reversible and irreversible cells, reversible electrodes, application of emf measurements,
concentration cells with a single electrolyte, amalgam concentration cells, electrode
potential, potentials in nonaqueous solutions, factors affecting electrode potentials, rate of
electrode potentials, electrode potentials and equilibrium constants, electrode potentials
and solubility products
b. Oxidation reduction systems: types of oxidations, reduction systems, determination of
oxidation reduction potentials, Problems

4. Dynamic Electrochemistry
Process at electrodes, electrical double layer, rate of charge transfer, polarization,
electrochemical process, electrolysis, characteristics of working cells, power production
and corrosion, types of electrochemical corrosions, fuel cells, power generation in fuel cells,
power storage secondary cells, thermodynamics and kinetics of corrosion and their
prevention methods, applications of electrolysis in electrorefining, electroplating and
electrotyping, Problems

Books suggested
1. Text book of Physical Chemistry, Samuel M. Glasstone
2. Physical Chemistry, P. W. Atkins (ELBS)
3. Introduction to electrochemistry, Samuel M. Glasstone
4. Theoretical electrochemistry, L. J. Antropov., Mir Publishers, Moscow
5. Modern Electrochemistry Vol1 & II Bkris JOM, Reddy A. K. N

PHCH-473 (A): Photochemistry

1. Photochemical Reactions
Interaction of electromagnetic radiation with matter, types of excitation, rate of excited
molecule, quantum yield, transfer of excitation energy, actionomety
2. Determination of Reaction Mechanism
Classification, rate constant and life times of reactive energy states determination of rate
constants of reactions, effects of light intensity on the rate of photochemical reactions,
types of photochemical reactions, photodissociation, gas phase photolysis

3. Photophysical process in electronically excited molecules

Types of photochemistry, pathways with jabalonski diagram radiation theory, internal
conversion and intersystem crossing, fluorescence emission, fluorescence and structure,
triplet states and photophosperescnce emission, emission property and the electronic
configuration, photophysical kinetics of unimolecular process, state diagrams delayed
fluorescence, the effect of temperature on emission process

4. Photophysical kinetics of Bimolecular Process

Kinetic collisions and optical collision, bimolecular collisions in gases and vapors and the
mechanism of fluorescence quenching, collisions in solution, kinetics of collisions
quenching, stern-volmer equation, concentration dependence of quenching and excimer
formation, quenching by foreign substances

5. Some aspects of organic and Inorganic photochemistry

Photoreduction and reactions, photoxidation and photo oxygenation, cycloaddition
reactions, woodward-Hoffman rule of electrocyclic reactions, chemiluminiscence,
transition metal complexes
6. Some current topics in photochemistry
Photosynthesis, photoelectrochemistry of excited state redox reactions, solar energy
conversion and storage

Books suggested
1. Fundamentals of Photochemistry, K. K. Rohtagi- Mukherji, Wiley eastern
2. Essentials of Molecular Photochemistry, A. Giolber and J. baggot, Blackwell Scientific
Publication
3. Molecular Photochemistry, NJ Turro, W. A. Benjamin
4. Introductory Photochemistry, A.Cox, T. Camp, McGraw-Hill
5. Photochemsitry, R. P. Kundall and A. Golbert, Thomson Nelson
6. Organic Photochemistry, J. Coxon, B. Halton, Cambridge University Press.
PHCH-474 (A): Radiation Chemistry

1. Radioactivity
Historical background, natural radioactive elements, general characteristics of
rays, detection and measurement of radioactivity, the theory of radioactive disintegration,
decay kinetics, units of radioactivity, parent daughter growth relationship secular and
transient equilibrium, theory of decay, decay energetic of decay, problems of decay,
Fermi theory of decay, nuclear dexcitation emission, Numerical

2. Nuclear Reactions and Reactors

Definition and Bethes notation, nuclear reaction energetics, nuclear reaction and threshold
energy, characteristics of nuclear reactions, types of nuclear reactions, conservation in
nuclear reactions, specific nuclear reactions, photonuclear reactions, stripping and pickup
reactions, evaporation, spallation, fragmentation, thermonuclear reactions.
Types of reactors, working, nuclear energy programs of India.

3. Elements of Radiation Chemistry

Introduction: Primary effects due to charged particle/radiation, Linear energy transfer
(LET), interactions of electron with matter, interaction of neutrons with matter, interaction
of heavy charged particles with matter, interaction of rays with matter, units for measuring
radiation absorption, absorption in water
Radiation dosimeter units of radiation energy, chemical dosimeter- the Fricke dosimeter,
ceric sulphate dosimeter other chemical dosimeters conversions of measured dose values,
Numerical

4. Effects of radiation on matter

Radiolysis of water and aqueous solutions, radiolysis of water vapour, liquid water,
radiolysis of oxygenated water, the reduced species-hydrated electrons, redox reactions
due to ray irradiated, radiation induced colour centers in crystals (strong and release of
energy) effect of pH on radiolytic product of water solution, radiolysis of aqueous solution:
radiolysis of ferric solution, ferrous sulphate, cupric sulphate solution, radiolysis of
aqueous solution of organic compounds, Numerical

5. Application of radioactivity
Typical reactions involved in the preparation of isotopes: the scillard Chalmers reactions,
radiochemical principles in the use of tracers, typical application of radioisotopes as
tracers-chemical investigation, physio-chemical research analytical applications,
agricultural applications, use of nuclear radiations, radioisotopes as a source of electricity,
carbon dating.

Books suggested
1. source of atomic energy, S. Glasstone, D. Van Nestrated Co. Inc
2. Essentials of Nuclear Chemsitry, H. J. Arnikar 4th edition, New Age International P. Ltd
3. Introduction to Nuclear Chemistry, B. G. Harvey
4. Nuclear Chemistry, M. G. Arora & M. Singh Anmol Publications
5. Elements of Nuclear Chemsitry, A. K. Srivastav, P. C. Jain, S. Chand & Co
6. A Text book of nuclear chemistry, C. V. Shekar, Eminent publications & Distributions,
New Delhi
7. Radiochemistry & Nuclear Chemsitry 3rd Edtn G. Chappin, Butterwerth-Heinemann.
8. Nuclear chemistry, M. N. Shastri

PHCH-473 (B): Chemistry of Materials

1. Electronic Materials and their application

Origin of valence and conduction bands in solids, classification of solids into metals,
semiconductor and insulator; type of semiconductivity; mobility of charge carriers,
temperature dependent conductivity, some examples of semiconducting materials.
Application of semiconducting devices; Metal- Metal junction (i.e. Peltier and Seebeck
effects), diodes (p-n junctions), transistors (np- n junctions), metal-semiconductor junction

2. Optical materials and their properties

Photonic devices, Photoluminescence, Crystalline Lasers

3. Magnetic Materials
Atomic magnetism and solids, type of magnetic materials, the exchange interactions,
hysteresis loops and their classification, calculation of magnetic moment from saturation
magnetization, magnetic domains. Examples off magnetic materials: soft and hard ferrites,
i.e. structure and magnetic interactions in spinels, garnets, hexagonal ferrites. Application
of magnetic materials

4. Superconducting Materials
Definition of superconductivity, Critical temperature(Tc), Critical field, Bardeen – Cooper -
Schrieffer (BCS) theory, properties and classification of superconducting compounds, High
Tc superconductivity, Examples of superconducting materials: Structure of YBa2Cu3O7-d
oxide, Fullerenes, intermetallic superconductors, synthesis of superconductors. Application
of superconducting materials.

5. Ceramic Materials
Classification of ceramics, dielectric properties and polarization properties of ceramics,
piezo-, pyro- and ferro-electric effect of ceramics, sol-gel processing of ceramics. Examples
and application of ceramics: oxides, carbides, borides, nitrides.

6. Composite Materials
Definition, glass transition temperature, fibers for reinforced-plastic composite materials
(i.e. glass fibers, carbon fibres, and aramid fibers); concrets and asphalt materials.
Application of composite materials.

Books:
1. Introduction to Solids - L. V. Azaroff ( Tata MaGraw Hill)
2. Materials Science and Engineering – V. Raghavan (2nd Edition 1980)
3. Elements of Materials Science and Engineering – Van Vlack (5th Edition, Wiley 1988)
4. Nature and Properties of Engineering Materials – Z. D. Jastrazebski (John Wiley Sons,
1989)
5. Principles of Materials Science and Engineering – William F. Smith (Wiley, 1991)
6. Insight into Speciality Inorganic Chemicals – David Thompson (The Royal Society of
Chemistry, 1995 chapter 13 and 14)
PHCH-474 (B): Catalysis and Surface Chemistry

1. Fundamentals of adsorption and catalysis: Physical and Chemical adsorption adsorption

isotherms: evaluation, chemisorption on metals and metal oxides. Catalysis: concept of
activity, selectivity, poisoning, promotion and deactivation. Types of catalysis:
homogeneous, heterogeneous. Heterogeneous catalysis and catalytic kinetics: concept of
Langmuir-Hinshelwood.

2. Preparation and Characterization of Catalyst: general methods for preparation of

catalysts: precipitation, sol-gel, hydrothermal, impregnation, hydrolysis, vapour deposition.
Activation of catalysts: calcinations, reduction. Catalyst characterization: surface area, pore
size distribution, particle size determination, XPS, AES, UV-Vis, FT-IR and thermal methods.

3. Nanomaterials and Catalysis: General definition, Nanochemistry basics, distinction

between molecules, nanoparticles and bulk materials. Physico-chemical considerations of
nanomaterials. Size-dependent properties.

4. Catalysis in green chemistry and environmental applications: Purification of exhaust

gases from different sources: auto-exhaust catalysts (petrol vehicles, diesel vehicles), VOC
removal; ozone decomposition; photocatalysis in effluent treatment.

5. Photo-catalysis: Photoprocesses at metals, oxides and semiconductors: concepts and

mechanism. Photocatalysis application in organic pollutant degradation present in water
and air.

6. Electrical double layer and electrified interface: Thermodynamics of Electrified interface,

Electrocapillary curve, Potential of zero charge, structure of electrified interface, parallel
plate condenser model: Helmholtz-Perrin Theory, Gouy-Chapman Diffused Charge Model,
Potential drop at diffuse layer, Stern model.

7. Electrodics: Buttler volmmer formulation, Microscopic theories of charge transfer,

Marcus microscopic model (derivation expected) , predictions from Marcus theory,
Semiconductor electrodes and electron-transfer processes at the
semiconductor/electrolyte interfaces, Effect of light at semiconductor-solution interface.
8. Electrochemical methods: Introduction to Laplace transformations, Boundary condition,
Cottrell equation, Controlled Potential Techniques, Electrochemical instrumentations,
Scanning probe techniques in electrochemistry.

Text/Reference books:
1. W. Adamson, Physical Chemistry of Surfaces , Wiley Intersciences, 1990 (5th edition)
1990.
2. Bond, G C, Heterogeneous Catalysis: Principles and Application. Oxford University Press
1987
3. D.K. Chakrabarty and B. Viswanathan, Hetergogeneous Catalysis, Hardcover - Oct 2008
New Age International Publishers)
4. B.C. Gates, Catalytic Chemistry, John Wiley and Sons Inc. (1992).
5. G. Cao, Nanostructures and Nanomaterials - Synthesis, Properties and Applications,
World-Scientific, 2004.
6. P.T. Anastas and J.C.Warner, Green Chemistry, theory and practice,
7. Nick Serpone and Ezio Pelizzetti, Photocatalysis: Fundamentals and Applications, Wiley,
NewYork, NY, 1989.
8. Bard, A. J. Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications,
2nd Ed., John Wiley & Sons: New York, 2002.
9. Modern Electrochemistry, Volume 1 and 2, J.O.M Bokris and A.K.N, Reddy Plenum
Press N.Y. (1970)
10. Antropov, L.I. Theoretical Electrochemistry

PHCH-473 (C): Recent Trends in Physical Chemistry

TEM: The Electron Gun, Electron acceleration, Condenser- Lens System, The specimen stage,
TEM Imaging System, Vacuum System, Brief outline of TEM Specimens and images

SEM : Operating Principles of the SEM, Penetration of Electrons into a solids, Secondary-
Electron images, Backscattered electron Images, SEM operating Conditions, SEM specimen
Preparation, The environmental SEM, Electron Beam Lithography.
AEM (Analytical Electron Microscopy): The Bohr Model of the atom, X-ray Emission
Spectroscopy, X-ray Energy Dispersive Spectroscopy, Quantitative analysis in TEM,
Quantitative analysis in SEM.
Introduction to Nanoworld, Metals, Semiconductor Nanocrystals, Ceramics, Metal
nanoparticles: Double layers, optical properties and Electrochemistry, Magnetism, Chemical
and Catalytic aspects of Nanocrystals, Applications of nanoparticles.

Self assembly and Self Organization: The advantages of Self assembly, Intermolecular
Interaction and Molecular Recognisation, Self assembly Monolayers (SAMs), Electrostatic Self
assembly, Self organization, in Block Copolymer.

References
1.Physical Principles of Electron Microscopy: An Introduction to TEM, SEM and AEM by Ray F.
Egerton Springer
2. Handbook of Instrumental Techniques for Analytical Chemistry Editor by Frank Settle
Pearson Education (Singapore).
3. Nanoscale Materials in Chemistry Editor by Kenneth J. Klabunde John Wiley & Sons
4. Introduction to Nanoscale Science and Technology, Edited by: Massimiliano Di Ventra,
Stephane Evoy and James R. Heflin, Jr. Publisher: Springer.

Practical Courses

Laboratory Course-1 (PHCH-375)

Spectroscopy
1. To determine the indicator constant pK IN of an indicator by using
spectrophotometric method
2. To determine the concentration of Fe(II) and Cu (II) by spectrophotometric titration
with EDTA
3. To investigate the effect of ionic strength on pKa of bromo cresol green and thus
determine pKIN
4. To determine simultaneously the dichromate and permanganate ions in the given
solution
5. To investigate the reaction kinetics between K2S2O8 and KI by spectrophotometer
Polarimetry
6. Determine the percentage of two optically active substances in a mixture
7. To investigate the complex ion formation between Fe(II) and thioglycolic acid.
8. To study kinetics of hydrolysis of sucrose by hammett-Zuckerman approach
9. Investigate the effect of substitution of chloride ions on rate constant of inversion of
cane sugar by using mono, di and tri chloro acetic acid as catalyst

Refractometry
10. Determine the refractive indices of series of solution of a salt and determine the
concentration of the salt in the given unknown solution
11. Determine the molar refraction of ethyl, propyl and butyl acetate and show the
constancy of contribution to the molar refraction amide by CH2 group
12. Determine the molar refraction of methyl acetate, ethyl acetate, n-hexane and
carbon tetrachloride and calculate the atomic refraction of C, H, and Cl atoms
13. Study the variation of refractive index with composition of mixtures of carbon
tetrachloride and ethylacetate and determine the molar refraction of the given
unknown mixture.

Viscosity
14. Study the viscosity with composition of 1) ethanol – water 2) methanol-DMSO
15. Determine the molecular weight of macromolecules
16. Determine the iso-electric point of gelation and examine the effect of aging by
viscometric methods.

Laboratory course -2 (PHCH-376)

Potentiometer
1. Titrate ferrous ammonium sulphate with cerric sulphate and find out formal erdox
potential of Fe2+/Fe3+ and Ce3+/Ce4+ system
2. Titrate potentiometrically phosphoric acid solution against NaOH and calculate pK1,
pK2 and pK3 of the acid
3. Titrate potentiometrically NaCl solution against AgNO3 and find out the
concentration of NaCl and hence determine the solubility product of AgCl
 4. To determine the standard free energy change G0 and equilibrium constant for the
reaction Cu+ 2Ag+ ------ Cu++ + Ag
5. Determine the activity coefficient of silver ions using a concentration cell without
transference

pH metry
6. To determine the ligand stability constant of an organic acid and the metal ligand
stability constant of its complex by pH measurements(Bjerrum-Calvin titration)
7. Determine the Hammett constant of a given substituted benzoic acid by pH
measurements
8. Determine the pH value of various mixtures of sodium acetate and acetic acid in
aqueous solution and hence find out the dissociation constant of the acid
9. To determine the hydrolysis constant of aniline hydrochloride by pH measurements

Conductometry
10. To determine the thermodynamic dissociation constant of weak acid
conductometrically
11. Investigate the kinetics of basic hydrolysis of ethyl acetate conductometrically
12. To determine the degree of hydrolysis and hydrolysis constant of sodiumacetate
conductometrically

Surface tension
13. Study the effect of surfactant (n-propyl alcohol) at various concentrations on the
surface tension of water and hence determine the limiting cross sectional area of
alcohol molecule by stalagnometer
14. Determine the parachor of a solid by stalgnometer

Thermodynamics
15. Determine the partial molar volume of ethanol and water in a given composition by
density measurements
16. To determine the heat of dissociation of benzoic acid in water
Laboratory course (PHCH-475)

Chemical dynamics
1. Investigate the influence of ionic strength on the rate constant of the reaction
between K2S2O8 and KI
2. Determine the order of a reaction by 1) substitution method 2) fractional change
method and 3) differential method
3. Investigate the reaction between H2O2 and KI kinetically
4. Investigate the kinetics of iodination of acetone

Phase of equilibrium
5. Determine the critical solution temperature of phenol and water in presence of 1)
1% NaCl 2) 0.5% naphthalene 3) succinic acid
6. Construct the phase diagram of a three component system containing ethanol,
benzene and water
7. Determine the equilibrium constant of the tri-iodide formation in aqueous solution
by distribution method

Adsorption
8. Investigate the adsorption of acetic / oxalic acid by activated charcoal and test the
validity of Freundlich and Langmuir’s adsorption

Application of computer in chemistry

9. Calculate the mole fraction of liquid mixture from given data by using MS-Excel
10. Determine the excess molar volume of binary liquid/ ternary liquid mixture by
using MS-Excel from given data
11. Calculate mean deviation, relative mean deviation and standard deviation by using
MS-Excel from given data
12. Plot the graph of EMF Vs volume of titrant added, E/V Vs volume of titrant added
from the experimentally observed data by using MS-Excel and justify the nature of
graph
13. Determine proton ligand formation number (nA) dissociation constant (pK) and
metal-ligand stability constant (pL) by using MS-Excel
14. Draw the molecular structure of given molecules using CHEMDRAW
 15. Draw the graph between atomic number Vs IP and electronegativity of first group
elements by using MS-Excel from given data nad justify the nature of the graph.

Books
1. Text book of quantitative analysis- Vogel
2. Experiments in physical chemistry- D. V. Johapirkar (Himalaya publications)
3. Text book of practical physical chemistry – J. B. yadav.
4. Text book of practical physical chemistry - Findlay