.RU

Department electives (A minimum of three electives) - 13


References:


Pavia D L, Lampman G M and Kriz G S, “Introduction to Spectroscopy”, Third Edition, Brooks/Cole Pub, Singapore, 2001.
Drago R, “Physical Methods for Chemists”, Saunders, Philadelphia, 1992.
Pasto D, Johnson C and M.Miller, “Experiments and Techniques in Organic Chemistry”, Prentice- Hall Inc, New Jersey, 1992.
Silverstein R M, Bassler G C and Morril T C, “Spectrometric Identification of Organic Compounds”, John Wiley, New York, 1991.

08O042

ADVANCED

REACTION

MECHANISM


3 0 0 3



Addition

reactions

:

Reactive intermediates – formation and stability of carbonium ions, carbanions, carbenes and carbenoids, nitrenes, radicals and arynes. Addition to carbon-carbon and carbon – hetero multiple bonds –electrophilic, nucleophilic and free radical additions - stereochemistry of addition to carbon-carbon multiple bonds- orientation and reactivity, addition to conjugated systems and orientation – addition to , unsaturated carbonyl groups. (8)

Substitution

reactions

:

Aliphatic nucleophilic substitutions – SN1, SN2 and SNi mechanisms- effects of substrate, attacking nucleophile, leaving group and solvent- stereochemistry of nucleophilic substitution reactions- substitutions at carbonyl, bridgehead, vinylic and allylic carbons- neighbouring group participation, norbornyl cation and other non-classical carbocations, ambident nucleophiles – O versus C alkylation. aromatic nucleophilic substitutions - mechanisms effects of substrate, structure, leaving group and attacking nucleophile. – various methods of benzyne generation and reactions of benzynes, reactions of aryl diazonium salts. Vicarious nucleophilic substitution (VNS), Chichibabin and Schiermann reactions - Aromatic electrophilic substitution reactions and mechanisms. (10)

Elimination

reactions

:

E1, E2 and ElcB mechanisms – stereochemistry of E2 elimination – competition between elimination and substitution reactions – orientation effects in elimination reactions – effects of substrate structures, attacking base, leaving group and medium on E1 and E2 reactions – pyrolytic eliminations – Bredt’s rule. (8)

Rearrangements:

General mechanistic considerations, nature of migration, migratory aptitude - nucleophilic, electrophilic and free radical rearrangements – Wagner – Meerwein, McLafferty, Demyanov, Benzil-benzilic acid, Favorskii, Fritsch-Buttenberg-Wiechell, Neber, Hofmann, Curtius, Beckmann, Schmidt, Lossen, Wolff, Baeyer – Villiger, Stevens, Wittig, Chapman, Wallach, Orton, Bamberger, Pummerer and Von Ritchter rearrangements. (8)

Reagents

in

organic

synthesis:

Diborane, lithium aluminium hydride, sodium borohydride, selenium dioxide, osmium tetroxide, phenyl isothiocyanate, NBS, dicyclohexylcarbodiimide(DCC), lead tetraacetate, pyridinium cholorochromate(PCC), Swern oxidation, p-toluenesulphonyl chloride, trifluoroacetic acid, lithium diisopropylamide (LDA), 1,3-dithiane (reactive umpolung), crown ethers, trimethyl silyl iodide, dichlorodicyanobenzoquinone (DDQ), Gilman’s reagent, lithium dimethylcuprate, tri-n-butyltin hydride, di-tert-butoxy dicarbonate, dihydropyran, phase transfer catalysts, Wilkinson’s catalysts, Peterson’s synthesis, Merrifield resin and diethylaluminium cyanide. (8)

Total

42


TEXT

BOOKS:


Finar I L, “Organic Chemistry”, Vol. II, Fifth Edition, ELBS Longmann Group Ltd. London, 2001.
Francis A Carey and Richard J Sundberg, “Advanced Organic Chemistry”, Part A and Part B, Third Edition, Plenum press, New York, 1993.
Lowry T H and Richardson K S, “Mechanism and theory in Organic Chemistry”, Second Edition, Harper and Row Publishers, 1981.

REFERENCE

S:


Kalsi P S, “Organic reactions and their mechanisms”, New Age International Publishers, New Delhi, 2006.
Jerry March, “Advanced Organic Chemistry”, Fourth Edition, Wiley-Indersciences, New York, 2003.
Francis A Carey, “Organic Chemistry”, Fifth Edition, Tata McGraw Hill, New Delhi, 2003.
Mackie and Smith, “Organic Synthesis”, Second Edition, Longmann Group Ltd, London, 1990.

08O043

CHEMICAL

Sensors

and

Biosensors


3 0 0 3



BIOSENSORS:

Introduction – amperometric enzyme electrodes-characteristics- enzyme activity determinations – biosensors fro enzyme immunoassay – Potentiometric enzyme electrodes – electrode characteristics and performance –pH glass and ion-selective electrodes – solid-state pH and redox electrodes –gas electrodes. (7)

IMMUNO

BIOSENSORS:

Potentiometric immunobiosensors – immobilization techniques – analytical applications. Principle and measurements of enzyme thermistor devices. Transducer – experimental techniques – types of biological element: immobilized enzymes – immobilized cells – determination of enzyme activities in solution (7)

CHEMICALLY

MEDIATED

FIBEROPTIC

BIOSENSORS:

Introduction – sensing chemistry and materials –sensing techniques –transducer types. Transducer-based fiber optic biosensors – Optical biosensors based on competitive binding (6)

REDOX

HYDRO-GEL

BASED

ELECTROCHEMICAL

BIOSENSORS:

Electron conducting redox polymer in biosensors –enzyme electrodes – specific sensor examples. Hybridization at oligonucleotide sensitive electrodes: function of oligonucleotide sensitive electrodes – hybridization efficiency and sensitivity – probe oligonucleotide structure and dynamics – hybridization conditions – hybridization kinetics. (8)

FLUOROPHORE

AND

CHROMOPHORES

BASED

FIBEROPTIC

BIOSENSORS:

Enzyme based nonmediated fiberoptic biosensors – chromophores and flurophore detection. Bioluminescence and chemiluminescence based fiberoptic sensors – bioluminescence and chemiluminecent reactions – analytical potential of luminescent reactions – applications (7)

DETERMINATION

OF

METAL

IONS

BY

FLUORESCENCE

ANISOTROPY:

Theory of anisotropy based determination of metal ions – fluorescent aryl sulfonamides for zinc determination- removal of zinc from carbonic anhydrase – determination of zinc using reagent approach – determination of copper and other ions by using reagentless approach. (7)

Total

42


REFERENCES:


Copper J M and Cass E G A, “Biosensors ”, Second Edition, Oxford University Press, 2004.
2. Blum L J and Coulet P R, “Biosensor Principles and Applications”, Marcel Dekker Inc, 1991.

08O044

COMPUTATIONAL

PHYSICAL

Chemistry


3 0 0 3



REVIEW

OF

QUANTUM

CHEMISTRY:

Planck’s quantum theory, wave-particle duality – uncertainty principle, operators and commutation relations – postulates of quantum mechanics – Schrödinger equation: free particle, particle in a box – degeneracy, harmonic oscillator, rigid rotor and the hydrogen atom. Angular momentum, including spins, coupling of angular momentum including spin–orbit coupling. (8)

FOUNDATIONS

OF

MOLECULAR

ORBITAL

THEORY:

The variation method – perturbation theory – application to helium atom – antisymmetry and exclusion principle – slater determinantal wave equation – Born-Oppenheimer approximation – Hydrogen molecule ion – LCAO-MO and VB treatments of the hydrogen molecule – Electron density, forces and their role in chemical binding. Hybridization and valence MO’S of H2O, NH3 and CH4 – Huckel pi-electron theory and its applications to ethylene, butadiene and benzene – idea of self-consistent fields. (8)

GROUP

THEORY:

The concept of groups – classes – Abelian group – cyclic group – multiplication table. Symmetry elements and symmetry operations. Point group classification. Matrix representations and symmetry operations. Reducible and irreducible representation
Character tables for point groups : Orthogonality theorem. Properties of irreducible representation construction of character tables for print groups. The relationship between reducible and irreducible representation. Representations and vibrational modes in H2O, NH3 and BF3 molecules. (8)

AB

INITIO

THEORY

AND

CHEMICAL

APPLICATIONS:

Hartree theory – Hartree-Fock SCF method – electron correlation – Moller–Plesset theory – Basis set – functional forms – contracted Gaussians – single, multiple, split-valence – polarization function – diffuse functions – computation procedure for the solution of SCF equations – energy gradient – molecular geometry – conformation searching – solvent effect – molecular interactions. (7)

DENSITY

FUNCTIONAL

THEORY:

Thomas-Fermi model – The Hohenberg-Kohn theorem – The Kohn-Sham equations – exchange–correlation potentials – chemical potential – Electronegativity – Global hardness and softness – local hardness and softness – Fukui functions – Sanderson’s electronegativity equalization principle – Pearson’s hard and soft acids and bases principle – the maximum hardness principle. (7)

COMPUTER

APPLICATIONS:

Coordinate specification – Z-matrix – Cartesian coordinates – Introduction to structure drawing – Hands on use of software packages – Gaussian; Gamess, Molden. (4)

Total

42


TEXT

BOOKS:


Atkins P W and Friedman R S, “Molecular Quantum Mechanics”, Oxford University Press, Newyork, 2001.
Helgaker T, Jorgensen and Oslen J, “Molecular Electronic Structure Theory”, John Wiley, Newyork, 2000.
Ira N Levine, “Quantum Chemistry” Prentice Hall, 1991.
Gopinathan M S and Ramakrishnan V, “Group theory in Chemistry “ Vishal Publishers, New Delhi, 1988.

REFERENCE

S:


Cramer C J, “Essentials of Computation Chemistry”, Wiley, Chichester, 2002.
Leach A R, “Molecular Modelling – Principles and Applications”, Prentice Hall, 2001.
Robert G Parr and Weitao yang, “Density Functional Theory of Atoms and Molecules”, Oxford University press, Newyork, 1989.
Szabo A and Ostlund N S, “Modern Quantum Chemistry”, McGraw Hill, Newyork, 1989.
Warren J Hehre, Leo Radom, Paulv R.Schleyer and John A Pople, “Ab initio Molecular Orbital Theory”, John Wiley, Newyork, 1986.
Davidson G, ‘Introductory group theory for chemistry” Applied Science Publications London 1971.

08O045

MOLECULAR

SPECTROSCOPY


3 0 0 3



UV-Vis

spectroscopy:

Basics – types of transitions – Instrumentation – double beam UV-VIS spectrophotometer – Factors influencing max – Woodward fieser rules –applications. (6)

IR

spectroscopy:

Basics - theory – Instrumentation – sample handling – working of double beam IR spectrophotometer – modes of vibrations – selection rules – factors influencing vibrational frequencies – interpretation of spectra – Finger print region – PQR branches – characteristic group frequencies – applications to organic and inorganic compounds – problems.
Raman Spectroscopy: Basics – Stokes and antistokes lines – comparison of IR & Raman – mutual exclusion principle – applications. (10)

Mass

spectrometry

:

Principles – Instrumentation – double focusing mass spectrometer – molecular ions – metastable ions – fragmentation pattern – McLafferty rearrangement – Retro diels alder reaction – determination of molecular weight – nitrogen rule – fragmentation in organic compounds.
Mossbauer spectroscopy: Mossbauer nuclei – Doppler effect – isomer shift – quadrupole splitting – magnetic hyperfine interactions – applications. (12)

Nuclear

magnetic

resonance

spectroscopy:

Proton magnetic resonance – theory – relaxation processes – chemical shift – factors affecting chemical shift – spin-spin coupling – coupling constants – first order splitting patterns and second order effects on spectrum – AMX, ABX and ABC systems – Nuclear overhausear effect – Double resonance – 13C NMR spectra – theory – chemical shifts and correlations. (10)

Electron

Spin

Resonance

Spectroscopy

:

Principle – factors affecting the intensity – hyperfine splitting – g values and their significance – application to simple systems. (4)

Total

42



TEXT

BOOKS:


Banwell C N and McCash E M, “Fundamentals of molecular spectroscopy”, Fourth Edition, Tata McGraw Hill, New Delhi,1995.
Kemp W, “Organic Spectroscopy”, Third Edition, ELBS, McMillan, London, 1991.

References:


Pavia D L, Lampman G M and Kriz G S, “Introduction to Spectroscopy”, Third Edition. Brooks/Cole Pub, Singapore, 2001.
Pasto D, Johnson C and Miller M, “Experiments and techniques in Organic Chemistry”, Prentice- Hall Inc, New Jersey, 1992.
Drago R, “Physical Methods for Chemists”, Saunders, Philadelphia, 1992.
Silverstein R M, Bassler G C and Morril T C, “Spectrometric Identification of Organic Compounds”, John Wiley, New York, 1991.
Williams D H and Fleming I, “Spectroscopic Methods in Organic Chemistry”, Fourth Edition, McGraw Hill, New York, 1989.

HUMANITIES



08O046

PRINCIPLES

OF

MANAGEMENT


3 0 0 3



PRINCIPLES

OF

MANAGEMENT:

Meaning, Definition and Significance of Management, Basic Functions of Management – Planning, Organizing, Staffing, Directing and Controlling. Engineers and Organizational Environment – Social, Economic, Technological and Political. Social Responsibility of Engineers. (5)

MANAGEMENT

CONCEPTS:

MBO, Theory Z, Kaizen, Six Sigma, Quality Circles and TQM. (5)

BUSINESS

PROCESS

REENGINEERING:

Need for BPR, Various phases of BPR, Production and Productivity – Factors Influencing Productivity. (4)

ORGANIZATIONAL

BEHAVIOUR:

Significance of OB, Role of leadership, Personality and Motivation. Attitudes, Values and Perceptions at work. (5)

INDUSTRIAL

AND

BUSINESS

ORGANIZATION:

Growth of Industries (Small Scale, Medium Scale and Large Scale Industries). Forms of Business Organizations. Resource Management – Internal and External Sources. (5)

MATERIALS

MANAGEMENT:

Importance and Scope of Materials Management, Purchase Procedure, Inventory Control and Systems for Inventory Control – ROL, EOQ, MRP, ABC Analysis, VED, FSN and Value Analysis. (4)

MARKETING

MANAGEMENT:

Definition and Approaches to Marketing Management – Marketing Environment. The Marketing Process. Marketing Mix, Advertising, Sales Promotion and Consumer Behaviour. (4)
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