ADAMAS UNIVERSITY

FACULTY OF SCIENCE

DEPARTMENT OF CHEMISTRY

M.Sc. (Tech) PROGRAM in Applied Chemistry and Material Sciences

SEMESTER - I Type of the

Paper

Paper Code Theory / Practical Brief Contents Contact Hour

Per Week

L T P Credit

CORE SCYA51101 Theory

(Equilibrium and Statistical

Thermodynamics)

Statistical Mechanics of s system of

independent particles, Statistical

thermodynamic properties of solids,

Adsorption and lattice bonding

Phase Rule and its applications to

separation technology/Metallurgy

4 3 1 0 4

CORE SCYA51103 Theory

(Structure and Bonding)

Preliminary idea of valence bond theory

Structural Isomerism

Crystal field theory in Co-ordination

Complexes

Advanced Molecular Orbital Theory,

Analysis of electronic spectra using Orgel

and Tanabe-Sugano diagram.

4 3 1 0 4

CORE SCYA51105 Theory

(Organic Synthetic Strategy)

Newer Synthetic methodologies,

Asymmetric Synthesis,

Application of newer reagents and

catalysts, Introduction to bio-orthogonal

synthesis

4 3 1 0 4

CORE SCYA51107 Theory

(Application of Biomolecules

and Biomaterials)

Introduction to Biomolecules

Principle of Bioenergetics

Fundamentals of biomaterials science and

applications

Concept of biocompatibility

4 3 1 0 4

CORE

SCYA51201 Practical I

(Physical Lab I)

List of experiments will be provided

separately

4 0 0 4 4

CORE SCYA51203 Practical II

(Organic Lab II)

List of experiments will be provided

separately

4 0 0 4 4

Total 24 24

ADAMAS UNIVERSITY

FACULTY OF SCIENCE

DEPARTMENT OF CHEMISTRY

M.Sc.(Tech) PROGRAM in Applied Chemistry and Material Sciences SEMESTER - II

Type of the

Paper Paper Code Theory / Practical Brief Contents

Contact Hour

Per Week L T P Credit

CORE SCYA51102

Theory

(Techniques in Chemistry I:

Electronic and Molecular

Spectroscopy)

Symmetry and Group theory in

Chemistry

Molecular Spectroscopy and Molecular

Interaction

Absorption, rotational and vibrational

Spectroscopy

Photochemistry and

Photo physics

4 3 1 0 4

CORE SCYA51104

Theory

(Recognition and

Supramolecular Chemistry)

Recognition and Supramolecular

Chemistry

Drug Design and Synthesis using Host-

Guest Approach

Receptor based molecular modelling

Sensors and information processing

4 3 1 0 4

CORE SCYA51106

Theory

(Polymer Chemistry)

Fundamentals of Polymers and Their

Processing

Chemistry of Biopolymers

Polymer Recycling

4 3 1 0 4

CORE SCYA51202

Theory

(Computational chemistry)

Evaluation of analytical data

Molecular Mechanics / Force Field

Methods

Molecular dynamics

Basis sets

Molecular integrals

Slater Determinants

4 0 0 4 4

CORE

SCYA51204

Practical IV

(Analytical Lab I)

List of experiments will be provided

separately 4 0 0 4 4

CORE SCYA51206

Practical V

(Biomaterials Lab I)

List of experiments will be provided

separately 4 0 0 4 4

FOUNDATION SGYA51110

Theory

(Environmental science and

Energy Resources)

Environmental science and Energy

Resources 2 2 0 0 2

Total 26 26

ADAMAS UNIVERSITY

FACULTY OF SCIENCE

DEPARTMENT OF CHEMISTRY M.Sc.(Tech) PROGRAM in Applied Chemistry and Material Sciences

SEMESTER - III

Type of the

Paper Paper Code Theory / Practical Brief Contents

Contact Hour

Per Week L T P Credit

CORE SCYA52101

Theory

(Techniques in Chemistry II:

Resonance Spectroscopy)

Magnetic Resonance Spectroscopy

NMR, ESR: Basics and Application

Photoelectron Spectroscopy, Mass

Spectrometry, Mossbauer, FTIR,

FTNMR, 2D NMR

Basic Electronics and Instrumentation

4 3 1 0 4

CORE SCYA52103

Theory

(Emission and Laser

Spectroscopy)

laser systems for spectroscopy

instrumentation for detection of optical

signals and time-resolved

measurements

Absorption and fluorescence

spectroscopy

Raman spectroscopy

Non-linear spectroscopy, time-resolved

and ultra-fast laser spectroscopy,

Special applications of laser

spectroscopy

laboratory exercises

4 3 1 0 4

CORE SCYA52105 Theory

(Advanced Paper) To be chosen from below list 4 3 1 0 4

CORE SCYA52201

Practical VI

(Computational Chemistry Lab

I)

List of experiments will be provided

separately 4 0 0 4 4

CORE SCYA52203

Application of Organic

Synthesis in Material Science

Design and synthesis of various

biological probes, fluorescent dyes,

organo-electronic materials and other

important organo-materials.

4 3 1 0 4

CORE SCYA52701 Project -I 4 0 0 4 4

FOUNDATION Interaction with Industries and

National Research Laboratories

Interaction with Industries and National

Research Laboratories 2 0 0 2 2

Total 26 26

* Offering of subjects will vary from year to year, subject to the infrastructure of the university

ADAMAS UNIVERSITY

FACULTY OF SCIENCE

DEPARTMENT OF CHEMISTRY

M.Sc.(Tech) PROGRAM in Applied Chemistry and Material Sciences

SEMESTER - IV

Type of the

Paper Paper Code Theory / Practical Brief Contents

Contact Hour

Per Week L T P Credit

CORE SCYA52102

Theory

(Materials Science and Solid

State Chemistry)

Close-packed crystal structures

Semiconductors - intrinsic and extrinsic,

Advanced materials Meso &

microporous materials, Metal

nanoparticles: catalysis and

photocatalysis, Fuel Cells,

4 3 1 0 4

CORE

SCYA52104

Theory

(Chemistry of Nanomaterials)

Introduction to quantum confinement,

Basics Nanomaterials Synthesis

Methods: Bottom-up vs. Top-down

Methods, Biomimetics: Bioinspired

Synthesis of Inorganic Nanobiomaterials, Delivery of anti-

cancer drugs. New ethical, health and

safety or social issues.

4 3 1 0 4

CORE SCYA52106

Theory

(Techniques in Microscopy II)

Techniques of Electron Microscopy i.e.

TEM, SEM, XPS, AFM etc.

Electrical, optical, mechanical, magnetic,

catalytic, chemical and electrochemical

properties, Solar Cells and

Nanoelectronics/ Nanophotonics

Applications,

4 3 1 0 4

CORE SCYA52702 Project/Dissertation

and Comprehensive viva Project Completion 12 0 0 8 12

Total 24 24

SPECIAL/ADVANCED SPECIAL (choose any one paper )

1 Paint Chemistry 1 Green Chemistry

2 Fuel Chemistry 2 Industrial Chemistry

3 Medicinal Chemistry 3 Chemical Biology

ADAMAS UNIVERSITY

Department of Chemistry

Syllabus

M.Sc. (Tech) Program in Applied Chemistry and Material Sciences

DEPARTMENT OF CHEMISTRY

M.Sc. PROGRAM in Applied Chemistry and Material Sciences

Semester I

Theory-I (Equilibrium and Statistical Thermodynamics)

Code: SCYA51101

Lecture: 60L

Credit: 4

Unit I: Statistical Mechanics and its application in chemistry

Basic results of combinatorics and elementary notions of probability, information-theoretic entropy; Postulates of Statistical Mechanics: Ergodic hypothesis,

principle of a priori equal probabilities. Ensembles. Microcanonical ensemble.

Applications: Einstein model of crystals, simple model of Para-magnetism, negative absolute temperature. Canonical ensemble. Calculation of canonical partition

function for simple models; Grand canonical ensemble. General ensemble theory; Fluctuations. Equivalence of ensembles

Classical ideal gases: mono-atomic and diatomic molecules; Nuclear-spin and statistics; ortho-para hydrogen.

Vibrational and rotational partition functions for polyatomic molecules. Symmetry number.

Introduction to lattice statistics: Simple models of adsorption, polymer chains.

Unit II: Phase Rule and its application in metallurgy Gibbs phase rule and its applications to multicomponent and multiphase reactions and to the construction of different stability diagrams; construction of different

types of stability diagrams including phase diagrams. Alternative standard states (1 mol fraction and 1 wt%, Henrian); interaction coefficients, their

determination, and their applications in iron and steel making; quadratic solution model; regular solutions. Thermodynamics of Fe-O, C-O, and Fe-C-O systems

and their applications to the blast furnace and steelmaking reactions. Gibbs adsorption isotherm; thermodynamics of curved surfaces. Non-isothermal kinetics;

reduced time plots for different kinetic models. Gas diffusion in porous media: molecular and Knudsen diffusion. Nucleation and growth.

Texts/ References:

P. Atkins and J. de Paula, Atkins’ Physical Chemistry, 8th edition, Oxford University Press, 2006.

K. S. Forland, T. Forland and S.K. Ratkje, Irreversible Thermodynamics, Theory and Applications, John Wiley, 1988.

G. W. Castellan, Physical Chemistry, 3rd edition, Narosa Publishing House, 1985

R. S. Berry, S. A. Rice and J. Ross, Physical Chemistry, John Wiley, 1980

F. T. Wall, Chemical Thermodynamics, W. H. Freeman and Co., 1965. G. N. Lewis, M. Randall, K.S. Pitzer and L. Brewer, Thermodynamics, McGraw

Hill, 1961.

T. L. Hill, Statistical Thermodynamics, Addison Wesley, 1960.

D. A. McQuarrie and J. D. Simon, Physical Chemistry - a molecular approach, Viva Books Pvt. Ltd. 1998

Theory-II (Structure and Bonding)

Code: SCYA51101

Lecture: 60

Credit 4

Unit-I: Advanced Coordination Chemistry (30L)

Preambles of valence bond theory (VBT), limitations of VBT, Terms symbols and RS coupling, Structural and stereoisomerism of coordination compounds,

optically active coordination compounds and their resolution procedures, absolute configuration of enantiomer. Fundamentals, thermodynamic and kinetic

aspects of crystal field theory (CFT), limitations of CFT, Orgel diagram, Tanabe-Sugano diagram, ligand symmetry orbital, spectral properties, nephelauxetic

effect, racah parameter, vibronic coupling, band broadening, spin-orbit coupling, spin-forbidden transition, charge transfer transitions, intensity stealing,

Definition of magnetic properties, Curie and Curie-Weiss Law, Orbital and spin contribution to magnetic susceptibility, Introduction to magnetic properties of

lanthanides, Magnetic exchange coupling, Spin cross over phenomena. anomalous and subnormal magnetic moments, lowering of symmetry, electronic, steric,

Jahn-Teller effects on energy levels, conformation of chelator/congregator, structural equilibrium and implication. Inorganic reaction mechanism- substitution,

Electron transfer reactions (Inner sphere and Outer sphere mechanisms, Marcus-Hush Theory of electron Transfer), Thermodynamic stability and kinetic lability,

Trans effect.

Unit-II: Chemical Bonding (30L)

Linear combination of atomic orbitals in MOT (LCAO-MO), SALC of metal complexes, criteria for the formation of stable MOs. Sigma, Pi and Delta molecular

orbitals. Homonuclear and heteronuclear diatomic molecules and ions. MO theory of polyatomic molecules and ions. MO theory of π bonding and multi-centre

bonding. MO concept of metal-ligand bonding (pictorial approach) Free ion terms arising from dn configuration and their splitting in Oh and Td fields – Orgel

diagrams. Charge transfer spectra – LMCT and MLCT transition in Oh and Td complexes. Bonding of Nitrogen, Phosphorous, Sulfur, Pseudohalogen,

Interhalogen and Xenon Compounds, Borazines, Phosphazenes, Sulfur-Nitrogen compounds, Silicones, bonding and reactions in higher boranes, Wades rules

and styx numbers, Carboranes, Metallocarboranes. Isolobal analogy, metal carbonyl and halide clusters, compounds with metal-metal multiple bonds.

Preparation, structure, PSEPT theory, Capping principle,Electron precise molecules. Cluster assigned ligand transformation, polyhedral rearrangements,

Fragmentation reactions, Isopoly & heteropoly acids & salts.

Text Books/References:

Shriver & Atkins: Inorganic Chemistry, P.W. Atkins, T. Overton, J. Rourke, M. Weller and F. Armstrong; 5th Edition, Oxford University Press, 2013.

Advanced Inorganic Chemistry, F. A. Cotton, G. Wilkinson, C. A. Murillo and M. Bochmann; 6th Edition, Wiley, 1999.

Inorganic chemistry, K. F. Purcell and J.C. Kotz, Holt Saunders international, 1980.

Reaction Mechanism of Inorganic and Organometallic Systems, R. B. Jordan, 2nd Edition, Oxford University Press, 1998.

Photochemistry of coordination compounds, V. Balzaniand, V. Carassiti. Academic Press, 1970.

Inorganic Chemistry Principles of structure and reactivity, J. E. Huheey, E. A. Keiter, R. L. Keiter and O. K. Medhi, 4th Edition, Pearson, 2013.

Concepts and Models of Inorganic Chemistry, Bodie Douglas, Darl McDaniel, John Alexander. 3rd edition.

Cluster Chemistry, D. M. P. Mingos, David J. Wales, Prentice Hall, 1990

Theory-III (Organic Synthetic Strategy)

Code: SCYA51105

Lecture: 60

Credit 4

Unit-I: Newer Synthetic Methodologies: Application of Catalysts and Reagents in Organic Synthesis (30L)

Conventional and newer carbon-carbon bond forming reactions and functional group transformations focussing onchemoselectivity, regioselectivity and various

aspects of stereoselectivity. Formation of carbon-carbon bonds using carbanions: Methods for the formation of organolithium and organomagnesium compounds (e.g.

alkylation, transmetallation, transition-metal-catalysed cross-coupling and reactions with other electrophiles). Application of phosphorous, sulphur, boron and silicon in

organic synthesis. Regio- and stereo controlled enolate formation, applications of dianions in synthesis. Formation of carbon-carbon bonds using radicals. Transition

metal catalysed reactions. Pericyclic reactions: Diels-Alder-1,3-dipolar- and related cycloadditions; concerted electrocyclic ring opening and closure reactions

(stereochemistry); sigmatropic rearrangements. Application of photochemistry, sono-chemistry and mechano-chemistry in organic synthesis.

Use of the following reagents in organic syntheses and functional group transformations, Complex metal hydrides, Gilman’s reagent, Lithium dimethylcuprate,

Lithium disopropylamide, 1,3-Dithiane, Trimethylsilyl iodide, Trimethylsilylchloride, Tri-n-butyltin hydride, Woodward and Prevost hydroxylation, Osmium

tetroxide, DDQ, DCC, EDC.HCl, Thalium nitrate, Selenium dioxide, Phase transfer catalysts, Crown ethers and Merrifield resin, Peterson’s synthesis, Wilkinson's catalyst, Baker yeast, solid immobilized reactions, protecting groups.

Asymmetric Synthesis (25L)

Chiral induction-Diastereoselective synthesis. Stereoselectivity and stereospecificity, Nucleophilic addition to a-chiral carbonyl compounds – 1,2-induction and

1,3-induction – Cram’s rule and beyond – chelation control and non-chelation control directed functionalization – direct biomimetic polyene cyclization

(Johnson) Chiral auxiliary - Diastereoselective synthesis Basic requirements of chiral auxiliary – ‘chiral pool’ sources – polular and generally adaptable chiral

auxiliaries (Oppolzer, Evans, Enders, Davies, 8-phenylmenthol, BINOL etc.) – kinetic resolution by chiral auxiliary – boronic ester mediated homologation –

disadvantages of ‘auxiliary’ approach Asymmetric aldol condensation and alkylation Equilibrium-controlled condensation reaction has its own disadvantage –

transition state – enolate of lithium, boron, zinc etc. – configuration of enolate and stereochemistry of aldehyde addition – product assignment and extent of

stereocontrol – transition state model – ‘double stereo differentiation’ concept – Masamune’s sugar synthesis – macrolide antibiotics as target – alkylation of

chiral nucleophiles – Meyer’s oxazoline based enolate - ‘memory of chirality’ – Evan’s oxazolidinone derived enolates – polyanions in peptide backbone

(Seebach) Chirality modified reagents Reducing agents like boron/aluminium hydrides – allylation and crotylation – oxazaboralidines – TADDOL – chiral

lithium amides – chiral Lewis acids in enolate reaction, cycloadditions and sigmatropic rearrangements – enantioselectivedeprotonation and protonation – ‘chiral cavity’ for enantioselection Asymmetric catalysis Metal mediated catalysis – asymmetric hydrogenation; early advances DIPAMP, DIOP and Noyori’s BINAP –

Sharplessepoxidation, dihydroxylation, aminohydroxylation of alkenes – metal biocatalysis – organocatalysis – Proline mediated aldol reaction and further

expansion in the field of organocatalysis, ‘non-linear effects’ – ‘ligand accelerated catalysis’ and ‘chiral amplification’.

BIO-ORTHOGONAL CHEMISTRY (5L)

Basic introduction to bio-orthogonal chemistry, Alkynes-azidescycloaddition, bioconjugation, bioorthogonal reactions, Staudinger ligation.

.

Text Books/References:

Asymmetric synthesis by Gary Procter

Catalytic Asymmetric synthesis- Iwao Ojima

Asymmetric Organocatalysis –A. Berkessel and H. Groeger

Asymmetric synthesis- the Essentials by M. Christmann and S. Brase

Modern methods of Organic synthesis by W. Caruthers and I. Coldham

Chemoselective and Bioorthogonal Ligation Reactions: Concepts and Applications by W. R. Algar, P. E. Dawson and I. L. Medintz.

Theory-IV (Application of Biomolecules and Biomaterials)

Code: SCYA51107

Lecture: 60

Credit 4

Unit-I: Introduction to Biomolcules: Structure and Functions (30L)

Composition, structure and function of biomolecules: Amino acids, Carbohydrates, Lipids, Proteins and Nucleic acids, Stabilizing interactions: Van der Waals,

electrostatic, hydrogen bonding, hydrophobic interaction, Principles of biophysical chemistry: pH, buffer, reaction kinetics, thermodynamics, colligative

properties. Metabolism and bioenergetics: Generation and utilization of ATP. glycolysis, TCA cycle, pentose phosphate pathway, oxidative phosphorylation,

gluconeogenesis, glycogen and fatty acid metabolism. Principles of catalysis: enzymes and enzyme kinetics and inhibition, enzyme regulation, mechanism of

enzyme catalysis, isozymes. Vitamins and coenzymes. DNA replication, repair and recombination; Transcription and Translation, Immune System, Active and

Passive Immunity.

Unit-II: Biomaterials: Fabrication and Applications (30L)

Concept of Biocompatibility. Biocompatible materials, introduction to Biomaterials i.e. natural biopolymers, or artificially synthesized in laboratories, synthesis

procedures of biomaterials such as metals, ceramics, phosphates, natural polymers, bioactive glasses, pyrolytic Carbon glasses, carbons, and composite materials.

elastomers-Chemistry, Behaviour of the biomaterial, Biomechanics and Stability Sutures, Prior Understanding of biomaterial property and design to develop

medical implant. Integration of chemistry with biomolecules for different implant designing, Application of biomaterials as wound dressing, cardiovascular and

joint replacement devices, dental implants, blood vessel prostheses, drug delivery, vascular grafts, stents, Nerve conduits, contact lens and in surgery as

transplant material. Biomechanics and Applications, Ophthalmological Applications and Calcification in Metals-Chemistry, Applications in Dentistry, Adhesives

and Sealants, Degradable Materials, Applications of Degradable Materials, Regenerative Medicine using biomaterials.

Texts/References:

E.D.P. De Robertis, and E.M.F De Robertis, Cell and Molecular Biology‖. 8th Ed., Lippincott Williams and Wilkins, (2001) Harvey Lodish: Arnold Berk: S.L Zipursky:Paul Matsudaira: David Baltimore and James Danell, Molecular Cell Biology‖; 4th Ed., W.H Freeman and

company, (2000)

“Biochemistry: The Molecular Basis of Cell Structure and Function” by A L Lehninger (2000). Francesco Baino. Scaffolds in Tissue Engineering-Materials, Technologies and Clinical Applications. In Tech Publishers (2017).

Reza Rezaie, Hamid, Bakhtiari, Leila, Ochsner, Andreas. Biomaterials and Their Applications. Ebook. (2015)

Park, Joon, Lakes, R. S. Biomaterials (2007).

Practical I (Physical Lab I) Determination of the primary salt effect on the kinetics of ionic reaction and testing of the Bronsted relationship (iodide ion is oxidized by persulphate ion)

Solutions: Determination of the degree of dissociation of weak electrolyte and to study the deviation from ideal behaviour that occurs with a strong electrolyte.

Electrochemistry: conductometry: Determination of solubility and solubility product of sparingly soluble salts (e.g. PbSO4, BaSO4) conductometrically.

Potentiometry / pH metry: Determination of the strength of strong and weak acid in a given mixture.

Determination of the velocity constant, order of the reaction and energy of activation for saponification of ethyl acetate by sodium hydroxide conductometrically.

Electrochemistry: Determination of the activity coefficient of zinc ions in the solution of 0.002 M Zinc sulphate using Debye Huckel’s limiting law.

To study the effect of solvent on the conductance of AgNO3/Acetic acid and to determine the degree of dissociation and equilibrium 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 temperature dependence of EMF of a cell.

References:

A Handbook of Instrumental techniques for analytical chemistry, F. A Settle, Prentice Hall, 1997.

Introduction to Instrumental Analysis by R. D. Braun, McGraw-Hill Int. Ed, 1987.

Organic I (Organic Lab I) Separation of organic compounds from a binary mixture and identification of the functional groups present. Identification of the individual organic compounds by physical, chemical and spectroscopic means. Organic quantitative analysis. Estimation of phenol, acetone, ethyl alcohol, aniline, etc.

Texts/References:

Systematic Identification of Organic Compounds, a lab. Manual, R. L. Shriner, R. C. Fuson and D.Y. Curtin, 6th edition Wiley, New York.

Vogel’s Textbook of Practical Organic Chemistry revised- B. S. Furniss, A. J. Hannaford, P. W. G. Smith, A. R. Tatchell, 5th Edition, Addision Wesley

Longman Limited, UK, 1997.

Experimental Organic Chemistry- L. M. Harwood and C.J.Moody, Blackwell Scientific, London, 1989. 5. Practical Organic Chemistry – W. Kemp,

McGraw Hill, London, 1962.

Semester II

Theory-V (Techniques in Chemistry I: Electronic and Molecular Spectroscopy)

Code: SCYA51102

Lecture: 60

Credit: 4

Unit-I: Elementary idea, Rotational and Vibrational Spectroscopy (30L)

Molecular spectroscopy: Introduction to spectral energy domains, elementary idea about spectroscopic instrumentation, spectral broadening. Implications of

discrete energy levels. Population of States-Boltzmann Distribution, Interaction of radiation with matter, origin of line widths in molecular spectra, Transition

dipole moment, Molecular electronic spectra, Electronic transitions, Rotational spectra of polyatomic molecules: classification of molecules into spherical,

symmetric and asymmetric tops; linear triatomic molecules, Non-rigid rotor. Elementary idea of Stark effect. Anharmonic oscillator and dissociation. Morse

potential, IR selection rules. Elementary idea of Born-Oppenheimer approximation. Vibration rotation spectra for diatomic molecule,

Unit-I: Raman Spectroscopy and Non-Linear Spectroscopy (30L)

Rotational-vibrational coupling. Raman spectra: classical theory of Raman scattering, concept of polarisibility ellipsoid. Dielectric polarization. Mossotti-

Clausius relation, polar molecule. Debye equation. Dipole moment and molecular structure. Intermolecular forces. Attraction and repulsion potentials: van der

Waals forces, Keesom, Debye and London forces, their relative contribution; Lennard-Jones potential. Classification of polyatomic rotors and the non-rigid rotor,

symmetric and asymmetric tops. Photophysical processes, Non-Linear Spectroscopy.

Text Books/References:

C. N. Banwell. Fundamentals of molecular spectroscopy. (1966)

J. Hollas. Modern Spectroscopy (1987)

Joseph R Lakowicz. Principles of fluorescence spectroscopy (1983)

A. Carrington, A.D. McLachlan. Introduction to magnetic resonance: with applications to chemistry and chemical physics. (1979).

Fundamentals of Molecular Spectroscopy, C. N. Banwell and E. M. McCash, 4th Edition, Tata McGraw-Hill Education, 1994.

Molecular Quantum Mechanics, P. W. Atkins and Ronald S. Friedman, 4th Edition, Oxford University Press, 2010.

Theory-VI (Recognition and Supramolecular Chemistry)

Code: SCYA51104

Lecture: 60

Credit 4

Unit-I: Supramolecular Chemistry: Recognition and Fabrication (35L)

Introduction to supramolecular chemistry (concepts and definitions), information and complementarity, non-covalent forces and interactions in supramolecules,

Principles of molecular receptor designs, Spherical recognition of macrocycles and supramolecules (crown ethers, cryptates, cryptands, carcerands, calixarenes,

cyclodextrins, fullerenes, dendrimers, rotaxanes, cucurbiturils, porphyrins), self-assembly and preorganization, coordination driven self-assembly of

supramolecular two and three dimensional architectures, host-guest chemistry, molecular devices and functional supramolecular structures – molecular wires,

sensors, switches and logic gate devices, Tetrahedral recognition by macrotricyclic cryptands, Recognition of ammonium ions, Recognition of neutral molecules

and anionic substrates (anionic coordination)metal-organic frameworks and their applications, nucleobases as supramolecular motifs. Supramolecular reactivity

and catalysis, switching devices. self-assembly of supramolecular aggregates, crystal engineering.

Unit-II: Application of Supramolecular Chemistry (25L)

Drug design and synthesis, Molecular and Quantum mechanics, Drawing chemical structures, equation and diagrams, 3D structures, Molecular modelling and

energy minimization, Molecular properties, Conformational analysis, docking procedures, De Novo design, Molecular recognition, Receptor based molecular

modeling, QSAR studies, Antineoplastic agent, Cardiovascular drugs, Local anti-infective drugs, Antimalarial, antibiotics, anticolenergic and CNS active drugs

as practical in computer application.

Text Books

Core Concepts in Supramolecular Chemistry and Nanochemistry, J. W. Steed, D. R. Turner, K. Wallace, 1st Edition, Wiley, 2007.

Supramolecular Chemistry: Concepts and Perspectives, J. M. Lehn, 1st Edition, VCH, 1995.

H. Dodziuk, Introduction to Supramolecular Chemistry, 1st Edition, Springer, 2001.

Supramolecular Chemistry: Fundamentals and Applications, Katsuhiko, 1st Edition Springer, 2006.

Theory-VII (Polymer Chemistry)

Code: SCYA51106

Lecture: 60

Credit 4

Unit-I: Fundamental concepts (25L)

Functionality - principle of polymerisation - addition, condensation polymerisation - ring opening polymerisation - classification - production from coal tar and

petro chemicals - Techniques of polymerisation - gas polymerisation, - bulk, solution, suspension and emulsion - melt condensation. Mechanism of polymerisation and general characteristics - free radical - cationic, anionic and coordination polymerisation (Ziegler-Natta catalyst) auto acceleration - Kinetic

chain length -degree of polymerisation kinetics of polymerisation (Detailed study) - copolymerisation.

Unit II: Characterisation methods (15L)

- molecular weight, MWD - Mn, Mw, Mv and Mz - end groupanalysis - viscometry - osmometry - Light scattering - spectral analysis-Thermal properties –Electrical properties, Mechanical and dynamic properties - polymer degradation. Phase transitions of polymers, crystallization and glass transition, mechanism of

glass transition, methods of determining Tg.

Unit III: Studies of individual polymers (20L)

Plastics-polyolefins, polystyrenes, acrylics, polyesters, polyamides, cellulose, polyurethanes, Inorganic polymers, FIR plastics – GR plastics. Alkydresins, epoxy

resins - phenolics - Melamine resins - compounding of plastics - rubber-elastomer - vulcanisation, compression mouldings - injection mouldings - lamination

.Biopolymers - Biomaterials - medicinal applications of polymers - High temperature and fireresistant polymers. Polymer concrete - polymer impregnated

concrete - conducting polymers; resins, epoxy resins - phenolics - Melamine resins - compounding of plastics - rubber -elastomer - vulcanisation, compression

mouldings - injection mouldings - lamination .Biopolymers - Biomaterials - medicinal applications of polymers - High temperature and fire resistant polymers.

Recyle of polymers.

Text Books/References:

Polymenr Science and Technology: Plastics, Rubbers, Blends and Composites- P. Ghosh, Publisher: Tata Mc. Graw-Hill

Seymour. Carraher’s POLYMER CHEMISTRY- 7th Edition, CRC Press

Polymer Science and Technology, Joel R. Fried, 2nd Edition

Principles of Polymerization, George G. Odian, John Wiley & Sons

Physical Chemistry of Polymer Rheology - Furukawa, Junji, Springer Series

Polymer Synthesis and Characterization , Stanley Sandler, Wolf Karo, Eli Pearce, Elsevier

Textbook of Polymer Science, Billmeyer, 3rd Edition, Wiley

Polymer Science –V. R. Gowarikar.

Theory-VIII (Computational Chemistry)

Code: SCYA51108

Lecture: 60

Credit 4

Unit I: Introduction to Computational Chemistry (20L)

Scope of computational chemistry; course topics; review of key concepts from linear algebra; Basic Programming Techniques; Interpolation and Curve Fitting;

Roots of Equations; Matrix Methods ; Differential Equations; Numerical Integration; Integral Transforms

Unit II: Quantum mechanical calculations (20L)

Ab initio methods –I (Hartree Fock); Ab initio methods - II (Post Hartree Fock); Density functional methods; softwares for quantum mechanical calculations;

Different forms of inputs for Ab initio calculations; Computation of single point energies; Geometry optimization; Electron densities and electrostatic potentials

Unit III: Molecular Mechanics (20L)

Potential Models; Concept of Periodic Boundary Conditions (PBC); Generalized coordinates; Solution of equations of motions using Finite Difference Methods;

Concept of Temperature in simulations; Development of a molecular dynamics (MD) code for Lennard-Jones fluids; Introduction to Monte Carlo (MC) method;

Vibrational frequency analysis; symmetry analysis, harmonic vs. fundamentalfrequencies, zero-point vibrational energies (ZPVE’s), Hessian index, distinguishing minimafrom transition states; Intrinsic reaction coordinate (IRC) analysis.

Text Books/References

F. Jensen, Introduction to Computational Chemistry, (Wiley, New York, 1999). Good introductory textbook covering a variety of topics.

A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, Introduction to Advanced Electronic Structure Theory, 1st ed., revised (Dover, 1989). More

mathematical detail for many of the ab initio electronic structure methods.

Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models, 2nd Ed. Wiley & Sons, New York.

Andrew R. Leach, Molecular Modelling: Principles and Applications, 2nd Ed. ,Prentice Hall, 2001.

Analytical Chemistry Lab-III

1. Estimation of phosphoric acid in cold drinks by molybdenum blue method.

2. Thermal analysis: Thermal decomposition of calcium oxalate, copper sulphate, calcium sulphate hydrate in cement.

3. IR spectrophotometry: Sample preparation, identification of functional groups.

4. The fundamental analytical techniques: Atomic Absorption spectroscopy, Mass spectrometry, NMR spectroscopy and X-Ray diffraction (single crystal and

powder);

5. Other general characterisation techniques (IR & UV spectroscopy, TEM, TG/DSC, CD) and separation science methodology;

6. GLP, electronic recording, data management, facility management and exploitation of results;

7. Data analysis, experimental design and chemometrics;

Biomaterials Lab-IV

1. Synthesis of chitosan embedded calcium phosphate composite as bone repairing agent.

2. Estimation of protein by Bradford method.

3. Preparation of bioactive glass for dental implants.

4. Synthesis of biomaterial mediated hydrogel as wound dressing material.

5. Preparation of zirconia and silica composites for dental implant application.

6. Application of zirconia nanocomposites for in vitro cell growth studies.

Theory-IX (Environmental science and Energy Resources)

Code: SCYA51110

Lecture: 60

Credit: 4

Environmental science and Energy Resources (SGYA51110) Credit 2

Water pollution-dissolved oxygen -BOD, COD -heavy metals as pollutants -thermal pollution-chemical pollution -role of fertilizers and detergent builders and

pesticides - industrial wastes and purification of water by classical and modern methods. Air pollution - sources -pollutions SO2, NO, CO, hydrocarbons and

industrial and photochemical smog. Pollution of upper atmosphere -greenhouse effect. Chemical at toxicology -biochemical effect of heavy metals -PAN and

cyanide. Use of IR in environmental pollution studies.

Texts/References:

A Text Book of Environmental Science. Arvind Kumar – 2004.

Environmental Science & Engineering. Anjali Bagad – 2009.

Environmental Science. Y. K. Singh – 2006.

SEMESTER III

Theory-X (Techniques in Chemistry II: Resonance Spectroscopy)

Code: SCYA52101

Lecture: 60

Credit: 4

Unit I: UV, IR, NMR, ESR and XPS spectroscopy (30L)

Electronic spectroscopy: Types of electronic transitions in organic compounds, solvent effects, effect of extended conjugation, Woodward-Fieser rules,

stereochemistry and electronic absorption.

Infrared spectroscopy: Group frequencies of organic functionality, factors affecting the group frequencies.

Nuclear Magnetic Resonance Spectroscopy: Karplus relationship of J on dihedral angle. First order splitting patterns and structure correlation. Off-resonance

decoupling, chemical shift reagents, restricted rotation (DMF, biphenyls, annulenes), long range coupling, NOE effects. 13C-NMR: Natural abundance and

sensitivity, 2D NMR.

ESR: ESR spectrometer, line width, hyper-fine splitting, ESR of triplet state, EPR spectra of transition metal complexes.

XPS/PES - photoexcitation and photoionization; XPS-principle and applications.

Unit II: IR/Raman of metal complexes, advanced spectroscopic techniques (30L)

Infrared and Raman spectroscopy: Vibrational spectra of ionic, coordination and metal carbonyl compounds.

Mass spectrometry: Base peak, metastable peak, fragmentation processes of organic molecules and deduction of structural information. Structure elucidation by

spectroscopic techniques. Applications of CSI, EI, FAB and MALDI in organometallic and supramolecular chemistry. Interpretation of spectroscopic (NMR, IR

and mass) data, as applied to organic, inorganic and biological systems.

Mossbauer spectroscopy: Principles of Mossbauer spectroscopy: experiments, center shift, quadrouple interaction, magnetic interaction. Fourier transformations, time domain versus frequency domain. Principles of FT NMR, instrumentation, the rotating frame of reference, simple 1D experiments.

FT IR – principles and instrumentation. Introduction to 2D NMR: NOESY, COSY, HETCOR, HOMCOR, INADEQUATE, INDOR, INEPT for simple

compounds and problems. Applications of multinuclear NMR in inorganic compounds-Examples from 1H, 11B, 13C, 19F, 31P. NMR of paramagnetic molecules –

Lanthanide shift.

Special Techniques:

CD and ORD, Faraday Effect, Cotton Effect and Magnetic Circular Dichorism (MCD).

Texts/References:

Electron Paramagnetic Resonance: Elementary Theory and Practical Applications, J. A. Weil and J. R. Bolton, (Eds), 2nd Edition, John Wiley & Sons, Inc.,

2007.

Modern NMR Techniques for Chemistry Research, A. E. Derome, Pregamon, 1987.

Principles of Magnetic Resonance, C. P. Slichter, 3rd Edition, Springer-Verlag, 1990.

Introduction to Molecular Spectroscopy, Gordon M. Barrow, McGraw-Hill, 1962

Organic spectroscopy, William Kemp, 3rd edition, Macmillan, 2011.

Spectrometric identification of organic compounds, Robert M. Silverstein, Francis X. Webster, David Kiemle, 7th Edition. Wiley, 2005.

Organic structure Analysis- Phillip Crews, Rodriguez, Jaspars, Oxford University Press, 1998

Physical Methods for Chemists, R. S. Drago, 2nd Edition, Saunders (W.B.) Co Ltd, 1992.

Electronic absorption spectroscopy and related techniques: D.N. Sathyanaraya.

Infrared spectra of Inorganic and coordination compounds - Kazuo Nakamoto

Theory-XI (Emission and Laser Spectroscopy)

Code: SCYA52103

Lecture: 60

Credit: 4

Unit-I: Introduction to Laser spectroscopy (30L) Semi classical treatment for radiation matter interaction: Properties of radiation, Max well’s equation, dipole transition, Transition probabilities, absorption,

spontaneous and stimulated emission, strong field approximation, Rabi oscillations. Life time of energy level, natural, homogeneous and collision,

inhomogeneous broadening. Amplification of radiation, laser resonator, single mode laser, mode locking, tunable laser, various kinds of commonly used laser.

Concept of stimulated emission; Einstein’s coefficients; Population inversion; Amplification of stimulated emission; Laser instrumentation fundamentals: Cavity, resonator and pumping processes; Gain medium

Coherent radiation, standing waves and modes; The kinetics of laser emission; Rate equations; Threshold conditions; Pulsed and continuous wave laser

emission; Various pulsing techniques: cavity dumping, Q-switching and mode-locking Transitions, lifetimes and linewidths: Three level laser, Four-level laser,

emission linewidth; Properties of laser light: monochromaticity, spatial and temporal coherence, intensity, beam-width Similarity transforms, Non linear

absorption, saturation spectroscopy, hole burning, Multiphoton spectroscopy.

Unit-II: Applications of lasers in spectroscopy Laser sources; different types of lasers; Laser instrumentation details; Generation and measurement of ultra short pulses, life time measurement, Pump probe

spectroscopy, Time resolved laser Raman spectroscopy, Laser induced breakdown spectroscopy, slowing down of light. Double resonance technique: Optical Pumping, double resonance technique, Spectroscopy of Rydberg states, Polarization spectroscopy.

Texts/References:

Laser Spectroscopy: Basic Concepts and Instrumentation. Wolfgang Demtröder (1971).

Foundations of Laser Spectroscopy. Stig Stenholm. (2012)

Laser Spectroscopy 2: Experimental Techniques. Wolfgang Demtröder (2015)

Laser Spectroscopy and its Applications. Richard W. Solarz (2017)

Laser Spectroscopy: Techniques and Applications. E. Roland Menzel (1994)

Theory-XII (Advanced Paper)

Code: SCYA52105

Lecture: 60

Credit: 4

To be Chosen from Below List

Practical VI: Computational Chemistry Lab V

1. Is benzene the most stable form of C6H6?

2. Acidities of carboxylic acids 3. Basicities and proton transfer reactions.

4. Conformational energy profile

5. Solution phase Basicities

6. Hydrogen bonded complexes

Theory-XIII (Application of Organic Synthesis in Material Science)

Code: SCYA52107

Lecture: 60

Credit: 4

Unit-I: Application of Organic Synthesis in Material Science (25 L) Design, synthesis and application of fluorescent probes, biosensors and chemosensors and their application in bio-imaging. Design, synthesis and application of

NIR active probes, FRET probes, 2-photon excitation probes. Application in the field of therapeutics.

Unit-II: Organic Electronics (20L)

Basic introduction to conductive organic materials, Difference between organic and inorganic conducting materials, OLED, Organic field-effect transistor,

organic electronic devices, thin film transistors, photovoltaic cells, sensors, memories etc.

Unit-III: Organic Nano-Technology (15L)

Organic-nanotechnology, PDMS [poly(dimethylsiloxane)], self-assembled monolayers, soft lithography, opto-electronic materials.

Texts/References:

Organic Electronics: Emerging concepts and technology by F. Cicoira and C. Santato

Organic Electronics: Materials, Manufacturing and applications by H. Klauk

The New Frontiers of Organic and Composite Nanotechnology by Victor Erokhi

The Design, Synthetic Strategies and Biocompatibility of Polymer Scaffolds for Biomedical Application by Shunsheng Cao.

Project –I: Students will be engaged in individual projects with respective faculties.

SEMESTER IV

Theory-XIV (Materials Science and Solid State Chemistry)

Code: SCYA52102

Lecture: 60

Credit: 4

Unit-1: Solid State Chemistry of Materials (30 L)

Introduction, Crystal structure, Crystalline solids, Crystal systems, Metallic structure-Unit cells, Crystallographic directions and planes, linear and planar

densities, close-packed crystal structures, Types of close packing-hcp and ccp, packing efficiency, Ceramics structure- radius ratio. Method of characterization-

Powder X-ray diffraction, electron and Neutron diffraction, Thermal analysis, microscopic and spectroscopic techniques as tools for material characterization.

Semiconducors - intrinsic and extrinsic, Hall Effect, Insulators-dielectric, ferroelectric, pyroelectric and peizoelectric properties, Magnetic properties-Dia, para,

ferro, ferri, antiferro and antiferri materials, Defects and dislocations-Vacancies and interstitials, dislocations and grain boundaries colour centers and reactivity,

Amorphous materials-glasses and refractories, magnetic materials, dielectric materials, optical and opto-electronic materials, biomedical materials, thermo-

electrical materials, structural and construction engineering materials. General Strategies for preparation and production of materials: Wet chemical processes,

the sol-gel route, precursor synthesis, carbo-thermic and thermo- chemical treatments, hydrothermal, pyrochemical, metallurgical and chemical routes, heat

treatment methods, surface deposition and film formation methods, special fabrication and processing techniques. Elementary ideas on basic properties of

important materials (overview only): Mechanical properties and impact properties, brittle, malleable and ductile properties, crystalline, poly crystalline materials.

Phase rule and phase diagram its applications. Overview of material characterization: x- ray diffraction for internal structure, electron-microscopy for surface

property.

Unit-2: Dielectric and Magnetic Materials (15 L)

Dielectric materials:Electrical dipole moment, dielectrics, dielectric constants and polarization, microscopic displacement, temperature and frequency

dependence of dielectric constant, dielectric break down. Synthetic strategies for preparation of dielectric materials.Ferro electrics.Piezoelectric.Pyroelectrics.

Application of dielectric materics.Magneticmaterials: Concept/ origin of magnetism,dimagnetism, par magnetism, ferromagnetism,hysteresis- soft and hard

magnets. Synthetic strategies.Ferrites, ortho-ferrites and plumba ferrites.Applications of magnetic material, magnetic bubbles.

Unit-3: Semi-Conductor and Electronic Materials (15L)

Semi conductor and electronic materials:Band concept for insulator, conductor and semi - conductor(elementary), intrinsic and extrinsic semi-conductor,

conductivity, n- and p- type semiconductor, carrier and hole mobility and concentration Fermi level, density of electrons in the conduction band and density of

holes invalence band, concentration of electrons in the CB of n- type and holes in VB of p-type semiconductor. Hall effect-hall voltage and Hall coefficient and

application. Fabrication and processing of semiconductors. Film formation and surface coating techniques. Application of semiconductors. Film formation and

surface coating techniques. Applications of semi conductors. Preparation of single crystals.Microelectronic circuits. Composites: Micro and macro composites,

fibre-reinforced composites (FRPs), matrix based composites. Polymer-matrix composites (PMCs), metal-matrix composite (MMCs), ceramic-matrix composites

(CMCs) as in construction materials, carbon-carbon composites (CCCs), hybrid composites. Uses of composites.

Texts/References:

Elements of X-ray Diffraction. Bernard Dennis Cullity (1978)

Magnetic and Dielectric Properties of Materials: Basics, Theories and Experiments – by Mohammad Mahbubur Rahman, 2012

Semiconductor Material and Device Characterization , by Dieter K. Schroder, Springer, 3rd edition 2006.

Introduction to Semiconductor Materials and Devices by M.S. Tyagi , John Wiley & Sons, 2008

The Materials Science of Semiconductors by Angus Rockett Springer, 2008

Chemical Processing of Advanced Materials: L.L.Hench and J.K. West (eds), John Wiley New York 1992.

Theory-XIV (Chemistry of Nanomaterials)

Code: SCY52104

Lecture: 60

Credit: 4

Unit-I: Nanomaterials: Inorganic and Biomaterials (30L) Introduction to quantum confinement, Inorganic nanomaterials, General Methods available for the Synthesis of Nanostrutures, reduction-precipitative-reactive-

hydrothermal/solvothermal methods-suitability of such methods for scaling-potential Uses; Solution growth techniques of 1D-2D nano structures:- Synthesis of

metallic, semiconducting and oxide nanoparticles – homo- and hetero-nucleation growth methods. Nanoclusters and Nanowires; Metal, Metal Oxide,

semiconductor nanoparticles, Carbon Nanotubes. Inorganic Materials synthesis by Templating and Self-Assembly; 2-D Nanopatterns and Self-assembled

Monolayers on Inorganic Substrates; Mesostructured and Mesoporous Materials; Inorganic-Organic and Inorganic-Polymer Nanocomposite Materials; Opals and

Photonic Materials; Layer by layer self-assembly and core-shell Inorganic Nanomaterials. Molecular modeling tools: Graphic visualization, structure and

functional prediction, Protein folding prediction and the homology modeling, Biomimetics: Protein based nanostructures building blocks and templates, Proteins

as transducers and amplifiers of biomolecular recognition events, Nanobioelectronic devices and polymer nanocontainers, Bioinspired Synthesis of inorganic

nanoparticles, Magnetosomes. DNA based nanostructures, Topographic and Electrostatic properties of DNA and proteins, Hybrid conjugates of gold

nanoparticles, DNA oligomers,Use of DNA molecules in nanomechanics and Computing.

Unit-II: Applications of Nanotechnology: Electronics, Chemical and in Textiles

Advantages of nano electrical and electronic devices, Micro and Nano Electromechanical systems, Optical switches, Diodes and Nano-wire Transistors, Lighting

and Displays, Batteries - Fuel cells and Photo-voltaic cells, nanoparticle coatings for electrical products. Nanocatalyts, Smart materials, Heterogenous

nanostructures and composites, Nanostructures for Molecular recognition (Quantum dots, Nanorods, Nanotubes), Molecular Encapsulation and its applications,

Nanoporous zeolites, Self-assembled Nanoreactors, Electrospinning – Controlling morphologies of nanofibers, UV resistant, antibacterial, hydrophilic, self-

cleaning, flame retardant effects in Modern textiles, Cosmetics, Formulation of Gels, Shampoos, Hair-conditioners, Sun-screen dispersions for UV protection

using Titanium oxide, color cosmetics.

Unit-III: Applications in Biomedical and Food Industry

Inorganic (metal/metal-oxide) nanoparticles and nucleic acid and protein based recognition groups, Application in optical detection methods, Nanoparticles in

bone substitutes and dentistry, Implants and Prosthesis, Reconstructive Intervention and Surgery, Photodynamic Therapy, Nanobiosensors in Diagnosis,

Inorganic metal oxide/lanthanides as MRI agents, Drug delivery, Therapeutic applications, Artificial life, Hybrid materials, Future of Bionanotechnology.

Fertilizer and pesticides. Smart delivery system, Insecticides using nanotechnology, Potential of nano-fertilizers, Nanotechnology in Food industry.

Text Books/References:

C. N. R. Rao, A. Muller, A. K. Cheetham, The Chemistry of Nanomaterials: Synthesis, Properties and Applications, Volume 1, Wiley-VCH, Verlag GmbH,

Germany (2004).

C. Brechignac P. Houdy M. Lahmani, Nanomaterials and Nanochemistry, Springer Berlin Heidelberg, Germany (2006).

Guozhong Cao, Nanostructures & Nanomaterials Synthesis, Properties G;Z: Applications, World Scientific Publishing Private, Ltd., Singapore (2004).

Carl C. Koch, Nanostructured Materials: Processing, Properties and Potential Applications, Noyes Publications, William Andrew Publishing Norwich,

New York, U.S.A (2002).

C. M. Niemeyer, C. A. Mirkin-Nanobiotechnology: Concepts, Applications and Perspectives‖, Wiley – VCH, (2004).

T. Pradeep, ―Nano: The Essentials‖, McGraw – Hill education, (2007).

Challa, S.S.R. Kumar, Josef Hormes, Carola Leuschaer, Nanofabrication Towards Biomedical Applications, Techniques, Tools, Applications and Impact‖, Wiley – VCH, (2005).

7. Neelina H. Malsch (Ed.),Biomedical Nanotechnology, CRC Press (2005)

8. Udo H. Brinker, Jean-Luc Mieusset (Eds.), Molecular Encapsulation: Organic Reactions in Constrained Systems,Wiley Publishers (2010).

9. Jennifer Kuzma and Peter VerHage, Nanotechnology in agriculture and food production, Woodrow Wilson International Center, (2006).

11. Y-W. Mai, Polymer Nano composites, Woodhead publishing, (2006).

12. W.N. Chang, Nanofibres fabrication, performance and applications, Nova Science Publishers Inc, (2009).

Theory-XIV (Techniques in Microscopy II: Characterization of Nanomaterials)

Code: SCYA52106

Lecture: 60

Credit: 4

Simplified model for vibrational interactions, Attenuated-total reflection (ATR) and grazing incidence angle techniques, Reflection-absorption IR spectroscopy

(RAIRS), The Raman Effect, Surface-Enhanced Raman Spectroscopy(SERS), Nano-Raman-Phase Identification and Phase Transitions in Nanoparticles,

Characterizing Metal nanoparticle and organic compound interactions using Raman Spectroscopy. experimental approaches and data interpretation, X-Ray Beam

Effects, spectral Analysis, elemental analysis , applications/limitations of x-ray characterization, x-ray sources, wide angle, extended x-ray absorption technique,

XPS Imaging, Electron microscopy, SEM/TEM, high resolution imaging, defects in nanomaterials, Spectroscopy, electron energy-loss mechanisms, electron

filtered imaging, prospects of scanning probe microscopes, optical spectroscopy of metal/semiconductor nanoparticles. Optical properties of assembled

nanostructures-interaction between nanoparticles-Direct and indirect gap transitions, Single molecule and single nanoparticles spectroscopy, Dynamic light

scattering spectroscopy, Fluorimetry and chemiluminescence, X-ray fluorescence spectrometry, Atomic emission spectroscopy. Ellipsometry, Photoluminescence

Spectroscopy. Thermal Analysis: DTA, DSC, TG, DMA analysis.

Texts/References:

Vladimir G. Bordo and Horst-Günter Rubahn; ―Optics and Spectroscopy at Surfaces and Interfaces” John-Wiley and Sons, Inc., (2005).

William W. Parson, Modern Optical Spectroscopy, Springer, (2007).

Collin Banwell, Mc Cash, Fundamentals of Molecular Spectroscopy, McGraw Hill (1994).

Harvey Elliot White, Introduction to Atomic Spectra, McGraw Hill, (1934).

Francis Rouessac and Annick Rouessac, Chemical Analysis-Modern Instrumentation Methods and Techniques, (2000)

Joseph. R. Lakowicz. Principles of fluorescence spectroscopy, Springer, (2010).

Pavia, Lampman, Kriz, Vyvyan, Introduction to spectroscopy, Cengage learning, (2009).

Jin Jhong Jhang, Optical properties and spectroscopies of Nanomaterials, World Scientific Publishing (2009).

SPECIAL/ADVANCED SPECIAL (choose any one paper in Sem III/IV)*

Paint Chemistry:

Paint Chemistry: Paints-Introduction and Definitions of paints, pigments, varnishes, lacquers, Anatomy of paints, functions & requirements of constituents of

paints, classification of paints on the basis of order of application/ methods of curing / nature of solvent/ uses etc. B. Paint Properties-color, tinting strength,

reducing power, pigments classification of pigments, pigments properties-oil absorption, refractive index, particle size shape, bleeding, resistance to light and

heat.

Manufacture of Paints, Ball mill, triple roll mill, bead mill, titrator, high speed and heavy-duty disperser. Important Resins or Modifications of Resins for Paints

and Coatings, Epoxy Resins (BPA based resin, curing agents & flame retardant epoxy resins, Alkyds – Introduction of alkyds, different components of it,

Modification with rosin, maleic anhydride, acrylics, vinyls, imides etc. c. Polyester resins-Unsaturated polyester resins. Modification of phenolics such as

novolac-epoxy oil soluble and oil reactive Modification of aminor resins (UF & MF) with alcohols and phenols.

Text Books: 1. Introduction to Polymer Chemistry - R.B. Seymour, Marcel Dekker, 3rd Ed., (1992)

2. Polymer Chemistry-properties and applications, Andrew Peacock, Allison Calhoun, Hanser Publishers, Munich, 2006.

3. Polymer Science and Technology of Plastics and Rubbers, Premamoy Ghosh, Tata McGraw-Hill Publishing Company Ltd., New Delhi, 1996.

4. Encyclopedia of Chemical Technology, Kirk and Othmer.

5. Plastics Materials, J. Brydson, Butterworths, &th Edn., London, 1999.

6. Polymer Chemistry, Ayodhya Singh, Campus Books, 2006.

7. Organic Polymer Chemistry, V. Jain, IVY Publishing House, New Delhi,

8. Outlines of Paint Technology, W. M Morgan 3rd edn CBS Publishers.

9. Paints, Coatings and solvents, Dieter Stoye, Werner Freitag, Wiley VCH Pub.

Medicinal Chemistry:

Drugs and drug targets – introduction. Proteins, Enzymes, receptors and nucleic acids as drug targets.

Pharmacodynamics and pharmacokinetics

Drugs: Classification of drugs, Drugs based on enzyme inhibition: Sulfa drugs, penicillin antibiotics and fluorouracil (Mechanism of drug action). Drug targets

on nucleic acids (Alkylating agents and intercalating agents). Drugs based on receptors, Definition of antagonist, agonist, prodrugs, pharmacokinetics and

pharmacodynamics, concept of structure-activity relationship (SAR) and quantitative structure and relationship (QSAR).

Drug discovery- target selection, finding leads, identification of pharmacophore, structure optimization, optimizing target access. Preclinical and clinical trials,

patenting and regulatory affairs.

Classification of drugs: Based on structure or pharmacological basis with examples. Mode of action and synthesis of Antibacterials, Antivirals, Anticancer

agents, cholinergics, anticholinergics and anticholineserases, adrenergic drugs, opioid drugs and antiulcer agents. Synthesis of a few drugs.

Books/References

1. Medicinal Chemistry-An Introduction, Gareth Thomas, 2nd edition, 2007, Wiley, NY.

2. An introduction to medicinal Chemistry, Graham L. Patrick, 4th Edition, Oxford, 2009

3. Strategies for Organic Drug Synthesis and Design, Daniel Lednicer, 2 Edition, Wiley, 2008.

4. Medicinal Chemistry, Ashutosh Kar, 1st edition, New Age International, 2007.

5. Medicinal Chemistry, Sriram and Yogeeswari, 2nd edition, Pearson education, 2007.

Green Chemistry

Introduction, Principles & Concepts of Green Chemistry. Waste: Production, Problems, Prevention. Catalysis and Green Chemistry: Oxidations and Reductions,

C-C Bond Formation, Organometallic Chemistry & Catalysis Organic Solvents: Environmentally Benign Solutions (Focus on water, ionic liquid, fluorous

solvents and super critical CO2).

Design for energy efficiency Renewable Resources: Chemicals from Biomass, Utilization of CO2 and other feed stocks. Focus on the application of innovative

technology the development of greener” routes to improve industrial processes and to produce important products. References: 1. Green Chemistry: Theory and Practice, Anastas, P. T.; Warner, J. C. Oxford University Press: New York, 1998.

2. Renewables-Based Technology: Sustainability Assessment; Dewulf, J.; Langenhove, H. V., Eds.; John Wiley & Sons, Ltd, 2006.

3. Green Chemistry and Engineering, Doble, M.; Kruthiventi, A. K.; Elsevier, 2007.

4. Handbook of Green Chemistry and Technology, James Clark and Duncan Macquarrie, Blackwell Science, 2002.

5. The Chemistry of Waste Minimization, J.H. Clark, Blackie Academic, 1995.

6. Multi Component Reactions Jeiping Zhu and Hugues Bienayme (Ed.), Wiley VCH Velag GmbH & Co., 2005.

7. Green Chemistry: Environmentally Benign Reactions; Ahluwalia, V. K., CRC Press: Boca Raton, FL, 2008.

Fuel Chemistry

Petroleum refining, outline of chemicals derived from ethylene, xylene and naphthalene.Introduction, Types of biofuels (bioethanol, biodiesel), Raw materials for synthesis of biofuels, Properties of biofuels, biofuels and environment, biofuels and economic, standard specification of biofuels uses of biofuels, Modification of

vegetables of oils as biodiesel. Introduction, Explosives, Propellants and Energetic polymers, Classification of Explosives, Methods of Characterization of HEMs

(Physical/ Structural/ Thermal/ Explosives properties), examples RDX, HMX, Azide compounds, Imidazole compounds, Nitramines, Nitric esters, Thermally

stable and insensitive explosives.

Books/References:

1. Plants Oils as fuels: Present Science and Future Developments- N. Martini and J. S. Sebeli

2. Biofuels: Air Pollution and Health- K. R. Smith

3. Biofuels and Industrial Products from Jatropha- M. Mittel bach.

Industrial Chemistry:

Plant location, Safety, Construction of plant, Management for productivity and creativity, Training for plant procedure and labor, Chemical process technology,

Classification of chemical reactions, Batch and continuous operations, Industrial chemical reactions, Conversion, Selectivity and Yield. Introduction, Industrial

unit processes- Definition and examples of Alkylation, Amination, Condensation, Cyclisation, Combustion, Cracking and pyrolysis, Hydrogenation and

dehydrogenation, Diazotization and coupling, Dehydration, Esterification, Hydrolysis, Halogenation, Isomerization, Ion-exchange, Nitration, Sulphonation,

Neutralization, Oxidization, Reduction. Different organic reactions required for industrial production, their synthesis, purification.

Books/References:

1. Unit Processes in Organic Synthesis- P. H. Groggins 2. Outline of Chemical Industries- Dryden

3. Chemical Process Industries- B. Shreeve.

4. Comprehensive Industrial Chemistry- P. G .More

Chemical Biology:

Origin of life, tree of life, Building blocks of life, Genome and Proteome, Introduction to the cells, Visualizing cells, Chemistry and organization of cells, Cell

membrane, Membrane structure, Membrane proteins, G-protein Coupled Receptors (GPCRs): Occurrence and importance, Receptors in human genome,

Classification of GPCRs, Structure of GPCRs, Receptor activation mechanism, Desensitization and recycling, Receptor interacting proteins: G-proteins, beta-

arrestins, Signal transduction, Secondary messengers: adenyl cyclases, Phospolipases, Rho proteins, Effect on enzymes, ion channels, and transporters. Brief

introduction: GPCRs in human body and role in human physiology, Case studies on GPCRs: Rhodopsin and Visual cascades.

Basic concepts in molecular pharmacology: Receptor-ligand interaction, Enzymes, agonists, partial agonist, inverse agonists, neutral antagonists and antagonist; potency, intrinsic activity and efficacy, Druggable proteome, Drugs targeting GPCRs, G-protein coupled receptor (GPCR) and biochemical classification of its

ligands, Conformational dynamics of GPCRs, Orthosteric and allosteric binding sites, Receptor dimerization, Receptor characterizations: measurement of ligand

binding and signaling, Dose response: IC50, LD50, GPCR signaling in endocrine, paracrine, autocrine and synaptic transmissions, GPCRs in homeostasis and

diseases, Peptide / protein binding GPCRs, inhibition of signaling and opportunity for drug discovery.

1. Alberts B.; Johnson A.; Lewis J.; Raff M.; Roberts K., and walter P. Molecular Biology of the Cell, New York Garland Science.

2. Nelson D. and Cox M. M. Lehninger Principles of Biochemistry, W. H. Freeman.

3. Siehler S. and Milligan G. G Protein-Coupled Receptors: Structure, Signaling, and Physiology, Cambridge university Press.

4. Gilchrist A. GPCR Molecular Pharmacology and Drug Targeting: Shifting Paradigms and New Directions, Wile