DEPARTMENT OF APPLIED CHEMISTRY BIRLA INSTITUTE OF TECHNOLOGY, MESRA-RANCHI Notification for Postgraduate Programme in Applied Chemistry Admission in January

2009 Applications are invited from the eligible candidates for two years (four semesters) postgraduate Programme in Applied Chemistry for the session starting on January 2009 in the Department of Applied Chemistry. About the Department of Applied Chemistry Department of Applied Chemistry at Birla Institute of Technology, Mesra, is a leading department both in teaching and research. The department is involved in imparting teaching to M. Tech (Environmental Science & Engineering), M. Sc. (Biomedical Instrumentation), M. Sc. (Fuel & Combustion) B.E. and B. Pharm. Students. The department is committed to high quality research programmes supported by UGC, DST, AICTE, UNICEF and World Bank. The M.Sc. course curriculum is interdisciplinary in nature and designed to provide an indepth knowledge in various aspects of Applied Chemistry. The proposed course aims to provide students with a broad theoretical background in Inorganic, Organic & Physical chemistry, with emphasis on Environmental & Analytical Techniques. Particular attention is given to industrial applications of chemistry so that students are completely equipped to move into careers in industrial, academic and commercial organizations. Laboratory courses have been designed to provide an exhaustive and hand-on experience on working with various sophisticated instruments like FTIR, ICP-AES, GC, GC-MS, HPLC, HPTLC, AAS, DSC, TGA, BOD track analyzer, SEM, AFM, & Electrochemical Analyzer. The emphasis is on Green Chemistry elaborating the need for waste minimization, substitution of non toxic chemicals for toxic ones and increasing the use of semi-micro, micro and computational techniques. An unique feature of the course includes thesis/dissertation work giving students experience in solving a real-life problems under the supervision of faculties.

(AAS) Employment Potential

(HPLC)

i) To provide properly qualified man power for academic institutions, R&D, environmental and quality control laboratories of chemical / pharmaceutical industries & forensic labs. ii) To fulfill the needs of the students regarding the limited exposure to modern instrumental techniques in various graduate and postgraduate courses. How to Apply: Updated Informations on the admission issues, PG application form and application procedure will be available on our website: www.bitmesra.ac.in. Candidate should attach a Demand Draft for Rs.__ in favor of Birla Institute of Technology, payable at Ranchi, as application processing fees. Last date of receipt of completed application form is _____. Eligibility: B.Sc. (Hons.) Chemistry (3 Years Course after 10+2) from any University whose examination is recognized by UGC (50% or above marks in aggregate and 50% or above marks in Chemistry). OR B.Sc.(Genl.)/B.Sc. (Pass)/ B.Sc. (Prog.) (3 Years course after 10+2) from any university recognized by UGC. (60% or above marks in aggregate and 60% or above marks in Chemistry). Selection Procedure Previous academic record as well as entrance test/interviews on ____, at Mesra (Ranchi). Reservation of seats is as per rule of the institution. Contact Addresses Dean (Admission) Birla Institute of Technology Mesra-835 215, Ranchi Phone:

FAX:

COURSE STRUCTURE
(Three semesters Theory & One Semester Thesis/Dissertation) Course code Course Units __________________________________________________________________________________ Semester I ACH 101 Advanced Physical Chemistry 1.0 ACH 102 Organic Reaction Mechanisms 1.0 ACH 103 Metal Chemistry 1.0 ACH 104 Modern Spectroscopy 1.0 CS 1004 Object Oriented Programming 1.0 ACH 105 Computational Chemistry lab 0.5 ACH 106 Organic Chemistry lab 0.5 __________________________________________________________________________________ Semester II ACH 201 Theoretical & Computational Chemistry 1.0 ACH 202 Synthetic Organic Chemistry 1.0 ACH 203 Advanced Analytical Techniques 1.0 ACH 204 Applications of Spectroscopy 1.0 ACH 205 Environmental Monitoring & control 1.0 ACH 206 Inorganic Chemistry Lab 0.5 ACH 207 Physical chemistry Lab 0.5 __________________________________________________________________________________ Semester III ACH 301 Solid state chemistry 1.0 ACH 302 Industrial Chemistry 1.0 ACH 303 Organometallic chemistry 1.0 ACH 306 to Elective-I 1.0 ACH 315 Elective-II 1.0 ACH 304 Industrial Chemistry Lab 0.5 ACH 305 Advanced Characterization Lab 0.5 __________________________________________________________________________________ Semester IV AC 401 Dissertation/Thesis 6.0 Total: 24.0

List of Electives
1. 2. 3. 4. 5. 6. 7. 8. 9. Polymer chemistry (ACH 306) Introduction to Biomaterials (ACH 307) Environmental Toxicology (ACH 308) Nuclear Chemistry (ACH 309) Advanced Electrochemical & Thermo analytical techniques (ACH 310) Catalysis & Surface Chemistry (ACH 311) Fuel & Combustion (ACH 312) Medicinal Chemistry (ACH 313) Nano Chemistry (ACH 314) 10. Computational Chemistry & Molecular Modeling (ACH 315)

SEMESTER-I ACH 101: Advanced Physical Chemistry

1. Chemical Dynamics Methods of determining rate laws, temperature dependence of chemical reactions;elementary, consecutive and parallel reactions; steady state approximation; Collision theory, steric factor, treatment of unimolecular reactions. Transition state theory, comparison of results with Erying and Arrhenius equations. Ionic reactions: salt effect. Mechanisms of photochemical, chain, free radical polymerization and oscillatory reactions. Homogenous catalysis and Michaelis-Menten kinetics; heterogeneous catalysis. General features of fast reaction, Study of kinetics by stopped flow technique, relaxation method, flash photolysis and magnetic resonance method. 2. Surface Chemistry Adsorption: Surface tension, capillary action, Laplace equation, Kelvin equation, Gibbs Adsorption isotherm, estimation of surface area (BET equation), Surface films on liquids (Electro-kinetic phenomena), catalytic activity at surfaces, Micelles: Surface active agents, Classifications, micellization, hydrophobic interaction, CMC, Factors affecting the CMC surfaces, Counter ion binding, Thermodynamics of micellization-phase separation and mass action modules, solubilization, Microemulsion, Reverse micelles 3. Electrochemistry Electrochemistry of solutions, Debye-Huckel-Onsager Treatment, Ion-solvent interaction, Thermodynamics of electrified interface equations, Derivation of electrocapilarity, Lapmann equation, Over potential exchange current density, Derivation of Butler-Volmer equation, Tafel plot. Polarography theory, Ilkovic equations, Half wave potential and its significance, Introduction to corrosion, Homogeneous theory, Forms of corrosions, Corrosion monitoring and prevention method. Batteries, primary & secondary cell and Fuel cell. 4. Photochemistry Photochemical reactions, Determination of reaction mechanism and miscellaneous photochemical reactions. 5. Thermodynamics First law of thermodynamics, relation between Cp and Cv; enthalpies of physical and chemical changes; temperature-dependence of enthalpies. Second law of thermodynamics, entropy, entropy of mixing, Maxwells Relations and its applications and thermodynamic equations of state. Free energy, free energy mixing of gases and variation of free energy with temperature, pressure and volume (Gibbs-Helmholtz equations with its applications). Third law of thermodynamics and calculation of entropy, partial molar quantities, Gibbs-Duhem equation, equilibrium constant, temperature dependence of equilibrium constant, phase rule and phase diagram of one- and two- component systems and three component as well. Determination of fugacity, Non-ideal systems, excess functions, activity, activity co-efficient, Debye-Huckel theory for activity co-efficient of electrolytic solutions, Determination of activity and activity co-efficient and Ionic strength. References: 1. Physical Chemistry by P. W. Atkins, Elbs 2. Chemical Kinetics by K. J. Laidler, McGraw Hill. 3. Micelles Theoretical and Applied Aspects by V. Moroi, Plenum 4. Modern Electrochemistry Vol I & II, by J. O. M. Bockris & A. K. N. Reddy, Plenum. 5. Physical Chemistry Vol. 1-5, by K.L Kapoor 6. Physical Chemistry: A Molecular Approach by McQuarrie & Simon Viva Books 5

ACH 102: Organic Reaction Mechanisms

1. Protecting Groups Principle of protection of alcohol, amine, carbonyl and carboxyl groups. 2. Stereochemistry Conformation analysis of cycloalkanes, decalines, effect of conformation on reactivity, conformation of sugars, steric strain due to unavoidable crowding. Elements of symmetry, chirality, molecules with more than one chiral centre, threo and erythro isomers, methods of resolution, optical purity, enatiotopic and diastereotopic atoms, groups & faces, sterospecific and stereoselective synthesis. Stereochemistry of the compounds containing nitrogen, sulphur and phosphorous. 3. Reaction Mechanisms: Structure & Reactivity Types of mechanisms, types of reactions, thermodynamic and kinetic requirements, Hammonds postulate, Curtin-Hammett principle, potential energy diagrams, transition states and intermediates. Hard & soft acids, Isotope effect, Mechanism of nucleophilic substitution (SN1 and SN2) and elimination (E1 and E2), pKa scale, Generation, structure, stability and reactivity of carbocations, carbanions, free radicals, carbenes and nitrenes, Effect of structure on reactivity resonance and field effects, steric effect. The Hammett equation and linear free energy relationship, substituent and reaction constants. Taft-equation. 4. Free radical reactions Types of free radical reactions, free radical substitution mechanism, mechanism at an aromatic substrate, neighbouring group assistance. Reactivity for aliphatic and aromatic substrates at a bridgehead, Reactivity in the attacking radicals, the effect of solvents on reactivity. Oxidation of aldehydes to carboxylic acids, auto-oxidation, Sandmeyer reaction, freeradical rearrangement, Hunsdieker reaction. 5. Aromatic Electrophilic and Nucleophilic Substitution The arenium ion mechanism, orientation and reactivity, energy profile diagrams. The ortho / para ratio, ipso attack. Diazonium coupling, Vilsmeir reaction, Gattermann-Koch reaction, The SNAr, SN1, benzyne and SRN1 mechanisms. Reactivity effect of substrate structure, leaving group and attacking nucleophile. The Von Richter, Sommelet-Hauser, Smiles Rearrangement. 6. Pericyclic reactions Molecular Orital symmetry, Frontier orbitals of ethylene, 1, 3 butadiene, 1, 3, 5 hexatriene and allyl system. Classification of pericyclic reactions. Woodward-Hoffmann correlation diagrams. FMO & PMO approach. Electrocyclic reactions conrotatory and disrotatory motions, 4n, 4n + 2 and allyl systems. Cyloadditions antarafacial and suprafacial additions, 4n and 4n + 2 systems, 2+2 addition of ketenes, 1, 3 dipolar cycloadditions and cheleotropic reactions, Sigmatropic rearrangements- suprafacial and antarafacial shifts of H, sigmatropic shifts involving carbon moieties, 3, 3 and 5, 5 sigmatropic rearrangements. Claisen, Cope and aza-Cope rearrangements. Ene reaction. References: 1.Stereochemistry of Organic Chemistry by D. Nasipuri, New Age International. 2.Advanced Organic Chemistry Reactions, Mechanism and Structure by Jerry March, John Wiley 3.Pericyclic Reactions by S. M. Mukherjee, Macmillan, India. 4.Enzyme Chemistry: Impact and Applications, Ed. Collin J Suckling, Chapman & Hall. 5. Mechanisms and Theory in Organic Chemistry, T. H. Lowry and K. H. Richardson, Harper and Row. 6. Advanced Organic Chemistry, Part A: Structure and Mechanisms, F. A. Carey and R. J. Sundberg, Springer, New York 2006. 6

ACH 103: Metal Chemistry

1. Stereochemistry and bonding in main group compounds VSEPR, d - p bonds, Bent rule and energetics of hybridization, some simple reactionsof covalently bonded molecules. 2. Metal-Ligand Equilibria in Solution Stepwise and overall formation constants and their interactions, trends in stepwise constants, factors affecting the stability of metal complexes, chelate effect and its thermodynamic origin 3. Reaction Mechanism of Transition Metal Complexes Energy profile of a reaction, reactivity of metal complexes, inert and labile complexes, kinetic application of valency bond and crystal field theory, kinetics of octahedral substitution, acid hydrolysis, factors affecting acid hydrolysis, base hydrolysis, , substitution reaction in square complexes, trans effect, redox reactions, electron transfer reactions, mechanism of one electron transfer reaction, outer sphere type reactions, inert sphere type reactions. 5. Metal-Ligand Bonding Limitations of CFT, MOT, Octahedral, tetrahedral and square planer complexes, pi-bonding and MOT. 6. Electronic Spectra and Magnetic Properties of Transition Metal Complexes Spectroscopic ground state, correlation, Orgel and Tanabe Sugano diagrams for transition metal complexes, calculations of Dq, B and beta parameters, Charge transfer spectra, anomalous magnetic moments, magnetic exchange coupling and spin cross over. 7. Metal -Complexes Metal carbonyls, structure and bonding, Vibrational spectra of metal carbonyls for bonding and structural elucidation, important reactions of metal carbonyls. 8. Metal Clusters Metal carbonyl and halide clusters, compounds with metal-metal multiple bonds. References: 1. Advanced Inorganic Chemistry by F. A. Cotton & Wilkinson, John Wiley 2. Inorganic Chemistry by J. E. Huhey, Harpes & Row 3. Comprehensive Co-ordination Chemistry by G. Wilkinson, R. D. Gillars & J. A. Mccleverty, Pergamon 4. Chemistry of the Elements 5. Concise Inorganic Chemistry by J D Lee, Amazon.

ACH 104: Modern Spectroscopy 1. Unifying Principles

Electromagnetic radiation, Interaction of electromagnetic radiation with matter-absorption,emission, transmission, reflection, refraction, dispersion, polarization and scattering, Uncertainty relation and natural line width & broadening, Transition probability, Time dependent perturbation theory, transition moments, selection rules, intensity of spectral lines, Born-Oppenheimer approximation, rotational, Vibrational and electronic energy level. Microwave Spectroscopy Classification of molecules, Rigid-rotor model, effect of isotopic substitution on transition frequency, intensities, non-rigid rotor, stark effect, nuclear & electron spin interaction and effect of external field, Applications. Vibrational Spectroscopy Infrared Spectroscopy: Vibrational energies of diatomic molecule, zero point energy, force constant & bond strength, Morse potential energy diagram, Vibration, rotation spectroscopy, vibrations of polyatomic molecules, selection rules, normal modes of vibrations, Group frequencies, overtones, hot bands, factors affecting band positions and intensities, far IR region, Metal ligand vibration. Raman spectroscopy: Classical & quantum theories of Raman Effect, Pure rotational, Vibrational and Vibrational-rotational Raman spectra, selection rules, mutual exclusion principles. Electronic Spectroscopy Atomic spectroscopy: Energies of atomic orbitals, spectra of hydrogen atom and alkali metal atoms Molecular spectroscopy: Energy levels, Molecular orbitals, electronic spectra of polyatomic molecules, emissions spectra, spectra of transition metal complexes and charge transfer spectra.Photoelectron spectroscopy: basic principles, photoelectric effect, spectra of simple molecules, ESCA & Auger electron spectroscopy-basic idea. Magnetic Resonance Spectroscopy Nuclear Magnetic Resonance Spectroscopy: Nuclear spin, nuclear resonance, saturation, shielding of magnetic nuclei, chemical shift and its measurement, factors influencing chemical shifts, deshielding, spin-spin interaction, factors influencing coupling constant J, spin decoupling, basic ideas about instruments Electron spin resonance Spectroscopy: Basic principles zero field splitting, Kramers degeneracy, Isotropic & anisotropic coupling constant, measurement techniques & applications. Nuclear Quadruple Resonance Spectroscopy: Quadruple nuclei, Quadruple moments, Electric field gradient, coupling constant, splitting, Applications References: 1. Modern Spectroscopy by J. M. Hollas, John Wiley 2. Introduction to Molecular Spectroscopy by G. M. Barrow, McGraw Hill. 3. Basic Principles of Spectroscopy by R. Chang, McGraw Hill. 4. Applied Electron Spectroscopy for Chemical Analysis by H. Windawi & F. L. Ho, Interscience. 5. Organic Spectroscopy, W. Kemp, ELBS 6. Spectroscopic methods in Organic Chemistry, D. H. Williams and I. Fleming, McGraw Hill. 7. Molecular spectroscopy, C. N. Banwell, TMH publications.

Wiley

CS 1004: Object Oriented Programming

Principles of Object Oriented Programming and C++; Object-Oriented Programming Paradigm, Basic concepts of Object Oriented Programming, Benefits of OOP, Object Oriented languages, C++ and It's applications, statements, examples with Class, Structure of C++ program. Tokens, Expressions and Control Structures: Tokens, Keywords, Identifiers, Basic data Types, User-Defined data Types, Derived data types, Symbolic constants, Type Compatibility, Declaration of variables, Dynamic initialization of variables, Reference variables, Operators in C++, Scope Resolution Operators, Member Dereferencing Operators, Memory Management Operators, Manipulators, Type Cast Operator, Expressions and Implicit Conversions, Operator Overloading, Operator Precedence, Control Structures. Functions in C++: The Main Function, Function Prototyping, Call by Reference, Return by Reference, Inline Function, Default Arguments, Const Arguments, Function Overloading, Friend and Virtual functions. Classes and Objects: C structures Revisited, Specifying a Class, Defining Member Functions, A C++ Program with Class, Making as Outside Function Inline, Nesting of Member Functions, Private Member Functions, Arrays within a Class Memory Allocation for Objects, Static Data Members, Static Member Functions, Arrays of Objects, Objects as Function Arguments, Friendly Functions, Returning Objects, Const Member Functions, Pointers to Members. Constructors and Destructors: Constructors, Parameterized Constructors, Multiple Constructors in a Class, Constructors with Default Arguments, Dynamic Initialization of Objects, Copy Constructor, Dynamic Constructors, Constructing Two-Dimensional Arrays, Destructors. Operator overloading and Type Conversions: Defining Operator Overloading, Overloading Binary Operators, Overloading Binary Operators using Friends, Manipulations of Strings using Operators, Rules for Overloading Operators, Type Conversions. Inheritance: Extending Classes: Defining Derived Classes, Single Inheritance, Making a Private Member Inheritable, Multilevel Inheritance, Multiple Inheritance, Hierarchical Inheritance, Hybrid Inheritance, Virtual Base Classes, Virtual Functions and Polymorphism: Pointers to Objects, this Pointer, Pointers to Derived Classes, Virtual Functions, Pure Virtual Functions. Managing Console I/O Operations, C++ Streams, C++ Stream Classes, Unformatted I/O Operations, Formatted Console I/O Operations, Managing Output with Manipulators. Working with Files; Classes for File Stream Operations, Opening and Closing a File, Detecting End-of-File, More about Open(): File Modes, File Pointers and Their Manipulations, Sequential Input and Output Operations, Updating a File: Random Access, Error Handling During File Operations, Command-Line Arguments.

ACH 105: Computational Chemistry Laboratory Programming Laboratory: 1. Computer Fundamentals (Operating Systems e.g. MSDOS 6.22, Windows 95). 2. Programming in FORTRAN 95. 3. Programming in C++. 2. Graphics programming &Auto CAD Graphic Programming I: Point plotting, Line Drawing, Filling Images, Filling Regular and non regular shapes, Colour. Graphic Programming II: Line Drawing based on Bresenham's algorithm, circle and Ellipses based on mid point algorithm. Auto CAD Software practice I: Drawing commands: Line, Pline, circle, ellipse, polygon, Text, Fillet, Chamfer etc. Utility commands: Block layer, Undo, oops, save, colour etc. Editing commands: Erase, Move, copy, rotate, array, mirror, trim. Hatching and Dimensioning commands: Hatch, Match edit, Linear Dimensioner, angular 1 period diminishing. Creating text : single line text, Drawing special character, Editing text. Computer Aided Drafting Practices for different configuration of science & engineering application. References: 1. Understanding Auto CAD By SHAM TICKOO, GALGOTIA Publication 2. Auto CAD By S. Vishal, Dhan Pat Rai Publication 3. Computer Graphics By Haren & Baler Printice Hall of India ACH 106: A. Organic Chemistry Lab

Qualitative Analysis
Identification of organic compounds (solid and liquid) using chemical analysis and preparation of their suitable derivatives

Separation, Purification and identification of compounds of binary / tertiary mixtures (one liquid and one solid) using TLC, Paper and Column chromatography, chemical tests, IR spectra. B. Organic Synthesis i) Aldol Condensation ii) Sand Meyer Reaction iii) Acetoacetic ester condensation iv) Cannizaro reaction Multistep Synthesis i) Photochemical reaction Benzophenone to Benzpinacol to Benzpinacolone ii) Beckmann Rearrangement Benzanilidine from Benzene iii) Synthesis of heterocyclic compounds Skraup Synthesis iv) Enzymatic synthesis (a) Enzymatic reduction (b) Biosynthesis of ethanol from sucrose

C.

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v) D.

Synthesis of Binol from -napthol.

Extraction of Organic compounds from natural sources i) Isolation of caffeine from Tea leaves. ii) Isolation Casein from Milk iii) Isolation of Nicotine as dipicrate from tobacco. iv) Isolation of -carotenes from carrots. Quantitative analysis i) Determination of the percentage or number of hydroxyl groups in inorganic compounds by acetylation method. ii) Estimation of amines/phenols using bromate/bromite solution or Acylation method iii) Determination of iodine and saponification value of an oil sample. iv) Estimation of Glucose. v) Estimation of nitrogen by Kjeldahl analysis. vi) Estimation of carbonyl group using 2, 4 DNP.

E.

1.Vogels Text book of Practical Organic Chemistry 2.Hand book of Organic Chemistry, Qualitative & Quantitative by H. Clark, Adward-Arnold 3. Systematic Qualitative Organic Analysis by H. Middleton, Adward-Arnold

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SEMESTER II ACH 201:Theoretical & Computational Chemistry

1. Quantum Chemistry Plancks quantum theory, wave particle duality. Uncertainty Principle, operators and commutation relations; postulates of quantum mechanics and Schrodinger equation; free particle, particle in a box, degeneracy, harmonic oscillator, rigid rotator and the hydrogen atom, Angular momentum, including spin; coupling of angular moment including spin-orbit coupling. Introduction to exact quantum mechanical results.The variation method and perturbation theory: Application to the helium atom, antisymmetry and Exclusion Principle,Terms symbols and spectroscopic states. 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 MOT of H2O, NH3 and CH4. Huckel pi-electron theory and its applications to ethylene, butadiene and benzene. Idea of self-consistent field methods. 2. Computational Chemistry Programming in Chemistry: Development of small computer course involving simple formulae in Chemistry, Evaluation of lattice energy and ionic radii from experimental data, Linear simultaneous equations to solve secular equation within the Huckel theory, Elementary structural features such as bond length, bond angle, dihedral angles etc. of molecules extracted from a database. 3. Numerical Methods of Analysis Solutions of equations: Bisection, regular falsi, Newton Raphson and related method for solving polynomial and transcendental equations, conversions, errors and ill conditioning. Linear simultaneous equations: Gaussian elimination, Gauss-Seidel method, Gauss-Jordon method, Pivoting strategy, Errors and ill conditioning. Interpolation: Newton forward and backward difference, Central differenced formulae, Lagrange and Hermite interpolation, Polynomial wiggle problem, Numerical differentiation: Solution of simple differentiate equations by Taylor series, and Runge-Kutta methods. Numerical integration: Newton-Cotes formulae, Romberg integration, errors in integration formulae. 4. Density Functional Theory Derivation of Hohenberg and Kohn theorem, Kohn-Sham formulations, Treatment of chemical concepts with DFT. 5. Statistical Thermodynamics Concept of distribution, Thermodynamic probability, Ensemble averaging, Canonical, grand canonical and micro canonical ensembles, Partition functions: Translational, rotational, Vibrational and electronic and calculation of thermodynamic properties, Applications Heat capacity behaviour of solids: Chemical Equilibria and equilibrium constant in terms of partition functions, Fermi-Dirac statistics, Distribution law and applications to metals, Bose-Einstein statistics- distribution law and application to helium. 6. Non-equilibrium thermodynamics Thermodynamic criteria for non-equilibrium states, entropy production and entropy flow, entropy balance equations for irreversible processes, non- equilibrium stationary states, elctrokinetic phenomena, electric conduction, irreversible thermodynamics for biological systems, coupled reactions. References: 1. Quantum Chemistry by Ira. N. Levine, Prentice Hall 2. Modern Quantum Chemistry by N. S. Ostlund & A. Szabo, McGraw Hill 3. Methods of Molecular Quantum Mechanics by R. Mcweeny & B. T. Sutcliffe, Academic Press 4. Density functional Theory of Atoms and Molecules by R. G. Parr & W. Yang, Oxford. 5. Theoretical Chemistry, S. Glasstone, ELBS 12

ACH 202:

Synthetic Organic Chemistry

Reagents of Synthetic Importance Principle, preparations, properties and applications of the following reagents in organic synthesis with Mechanistics details: Group I & II metal organic compounds-Li, M, Hg, Cd, Zn & Ce compounds. Transition metals Cu, Pd, Ni, Fe, Co, Rh, Cr & Ti compounds.

Rearrangements General Mechanistics considerations nature of migration, migratory aptitude, memory effects. A detailed study of the following rearrangements: Pinacol-pinacolone, WagnerMeerwein, Benzil-Benzilic acid, Favorskii, Arndt-Eistert synthesis Metallocenes, Nonbenzenoid Aromatics and Polycyclic Aromatic Compounds General considerations, synthesis and reactions of some representative compounds. Heterocyclic Chemistry Heterocyclic synthesis: Principles of heterocyclic synthesis involving cyclization reactions and cycloaddition reactions. Benzo-Fused Five - Membered Heterocycles: Synthesis and reactions including medicinal applications of benzopyrroles, benzofurans and benzothiophenes. Six Membered Heterocycles: Synthesis and reactions of pyrylium salts, pyrones, quinolizium and benzopyrylium salts, coumarins and chromones, diazines, triazines, tetrazenes and thiazines. Two group C-C disconnections Diels-Alder reaction, 1, 3-difunctionalised compounds, , -unsaturated carbonyl compounds, control in carbonyl condensation, 1, 5-difunctionalised compounds. Michael addition and Robinson annelation, Retrosynthetic analysis, Concept of umpolung Concept of synthetic efficiency: one pot, multi-step, multi-component and atom economical reactions. Ring synthesis Saturated heterocycles, synthesis of 3-, 4-, 5- and 6 membered rings, aromatic heterocycles in organic synthesis Synthesis of Some Complex Molecules Reserpine, Vitamin D, Chlorophyll, Quinine, Morphine, -terpinol, Estrone, Biosynthesis of steroid References: 1. Some modern methods of Organic Synthesis by W. Carruthers, Cambridge Univ. Press. 2. Advanced Organic Chemistry: Reactions, Mechanisms and Structure by J. March, Wiley. 3. Principles of Organic Synthesis by R. Norman and J. M. Coxon, Blackie Academia & Professional. 4. Modern Synthetic Reactions by H. O. House and W. A. Benjamin. 5. Organic Chemistry, Vol. 2, I. L. Finar, ELBS. 6. Natural Products: Chemistry and Biological Significance by J. Mann, R. S. Davidson, J. B. Hobbs, D. V. Banthrope and J. B. Harborne, Longman, Essex. 7. Advanced Organic Chemistry, Part B: Reactions and Synthesis, F. A. Carey and R. J. Sundberg, Springer, New York 2006.

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ACH 203: Advanced Analytical Techniques 1. Scope of analytical sciences, basic tools and operations, data handling and reliability of analytical tools, sampling and methodologies, introduction to Chemometrics. 2. Atomic spectroscopy: Atomic absorption spectrophotometer: Theory, Instrumentation, and applications in environmental sample analysis, back-ground correction, X-ray fluorescence spectroscopy. 3. Thermoanalytical technique: Thermoanalytical techniques, theory, instrumentation and applications of TGA, DTA, DSC. 4. Electrochemical techniques: Electro-chemical instrumentation: coulometry, polarography, Cyclic voltametry: Theory, Instrumentation and applications in oxidation, reduction reactions, pulse technique and stripping voltametry 5. Advances in chromatography and chromatographic detection: Ion chromatography. Capillary electrophoresis 6. Mass spectrometric techniques, e.g. FAB, MALDI-TOF. GC-MS, HPLC-MS, ICP-MS. 7. An introduction to surface characterization techniques SEM, TEM, XRD, AFM 7. Review of the current and developing methods available for collection, assessment and storage of data generated from analytical equipment. References: 1. Christian, G. D., Analytical Chemistry, 6th edition, John Wiley & Sons 2. Kealey, D. & Haines, P. J., Analytical Chemistry, Viva Books Pvt. Ltd. 3. Khopkar, S. M., Basic Concepts of Analytical Chemistry, 2nd edition, New Age Int. Pvt. Ltd.

ACH-204: Applications of spectroscopy

Inorganic Applications 1. Vibrational Spectroscopy Symmetry & shapes of AB2, AB3, AB4, AB5 and AB6, mode of bonding of ambidentate ligands, ethylene diamine and diketonato complexes, Applications of resonance, Raman Spectroscopy particularly for the study of active sites of metalloproteins. 2. Electron Spin Resonance Spectroscopy Hyperfine coupling, Spin polarization for atoms and transition metal ions, spin orbit coupling an significance of g-tensors, applications to transition metal complexes having one unpaired electron including biological systems and to inorganic free radicals such as PH4, F2- and (BH3)-. 3. Nuclear Magnetic Resonance of paramagnetic substances in solutions The contact & pseudo contact shifts, factors affecting nuclear relaxation, some applications including biochemical systems, an overview of NMR of metal nuclides with emphasis on 195Pt and 119Sn NMR.

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Organic Chemistry Applications 1. Optical Rotatory Dispersion (ORD) and Circular Dichroism (CD) Definition, deduction of absolute configuration, Octant rule for ketones. 2. Nuclear Magnetic Resonance Spectroscopy 2.1. General introduction, chemical shift, spin-spin interaction, retardation, spin-spin and spinlattice, shielding mechanism, mechanism of measurement, chemical shift values and correlation for protons bonded to carbons and other nucleus, chemical exchange, effect of deuteration, complex spin-spin interaction between 2, 3, 4 and 5 nuclei, virtual coupling, stereochemistry, hindered rotation, simplification of complex spectra, nuclear magnetic double resonance, contact shift reagents, solvent effects, Fourier transform technique, cross polarization, magic angle spinning, chemical shift, anisotropy, J-coupling, dipolar coupling. 2.2. Carbon -13 NMR spectroscopy. General considerations, chemical shifts, coupling constants. 2.3. 2-dimension NMR spectroscopy-COSY, NOESY, HETCOR, INADEQUATE techniques. 2.4. Other techniques such as DEPT, INEPT, APT etc 3. Mass Spectrometry Introduction, ion production, factors affecting fragmentation, ion analysis, ion abundance, mass spectro fragmentation in organic compounds, common functional groups, molecular ion peak, high resolution mass spectrometry, examples of mass spectral fragmentation of organic compounds w.r.t. their structure determination References: 1. Physical Methods for Chemistry by R. S. Drago, Saunders Company 2. Structural Methods in Inorganic Chemistry by EAV Ebsworth, DWH Rankin and S Cradock, Elvs. 3. Progress in Inorganic Chemistry by FA Cotton, Vol 15, Wiley. 4. Applications of Spectroscopy of Organic Compounds by JR Dyer, Prentice Hall. 5. A Complete Introduction to Modern NMR Spectroscopy by by RS Macomber, Harcourt Brace Joranovick.

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ACH 205:Environmental Monitoring & Control 1. Introduction to environment Role, importance and scope of environmental chemistry, multidisciplinary nature, Basic concepts of ecology & ecosystem, Structure and function of an ecosystem, Energy & Nutrient flow, Segments of environment, Environmental factors, Environmental transformation and degradation processes.

2. Atmospheric chemistry and Pollution control Various segments of atmosphere & their significance, Classification, sources and toxic effects of air pollutants with emphasis on reactive intermediates in atmosphere like hydroxyl radical, ozone and nitrate radical, Phototransformation, types of hydrocarbon in the troposphere, reaction of organic compounds in the atmosphere, Acid deposition, Global climate change, Ozone depletion. Sampling and analysis of air pollutants, emission standard from industrial sources, control of air pollutants from mobile and stationary emission sources, Various control methods for particulate emission: gravitational settling chambers, cyclone separators, bag house filters, electrostatic precipitators and wet scrubbers. Control of gaseous emissions, absorption by liquids, adsorption by solids, combustion. Control of SOx, NOx, CO, Hydrocarbons from mobile and stationary emission sources. Air (prevention and control of pollution) act, 1981
3. Water Chemistry & Pollution control Chemistry of natural waters, physico-chemical properties of water, organic components in natural waters,. Water pollution: pollutants in water, influence of chemical process on dissolved oxygen, measurement of oxygen reducing capacity of waste water-The BOD test, Kinetics of BOD reduction, The DO sag, seasonal variations and vertical profiles of dissolved oxygen, anaerobic processes, and production of poisonous gases from animal and vegetable waste, nutrient enrichment and eutrophication. Municipal and industrial water quality, Drinking water standards-PHED and WHO, Sampling techniques and preservation of samples, Physical examination, chemical characterization and Biological investigation, Wastewater treatment systems: Municipal and Industrial waste water: treatment Screening, Sedimentation, Flocculation and Coagulation, Filtration, Application of biofilters, Disinfection, Softening, Desalination Primary, Secondary and Tertiary treatment, (Prevention and control of pollution) act, 1974 . 4. Environmental toxicology Environmental pollutants, Chemical speciation Routes and mechanism of toxicant entry to organisms, distribution of toxicants within the organism, biotransformation of toxicants, excretion of toxicants, quantitative principles of toxicology, bioassays. Ecotoxicological concepts, risk assessment process, exposure assessment, dose-response relationship. References: 1. Environmental Pollution Control Engineering by C.S. Rao. 2. Practical Environmental Analysis by Miroslav Radojevic and Vladimir N. Bashkin, RSC. 3. Environmental Pollution Analysis by S. M. Khopker, New Age International Corporations. 4. An Introduction to Environmental Science & Engineering by Gilbert M. Masters. 5. Chemical analysis of ecological materials by S. E. Allen.

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ACH 206: Inorganic Chemistry Lab 1. Qualitative Semi-microanalysis: Qualitative semi microanalysis of at least 3 inorganic mixtures containing 6-8 radicals including interfering radicals and less common metal ions such as Mo, W, Ti, Zr, Th, V and U (Cationic/anionic form). 2. Qualitative analysis of hematite by KMnO4 and K2Cr2O7. 3. Quantitative analysis of alloys (Brass or gun metal), steel using conventional chemical analysis and physical techniques. 4. Qualitative analysis of cement using conventional chemical analysis and physical techniques. 5. Estimation of the following (ANY TWO) (a) Mg by EDTA method (b) Zn by potassium ferrocyanide (c) Ni by dimethyl glyoxime (DMG) (d) Manganese and steel by Sodium bismuthate method. 6. Preparation of the following complexes and their studies (ANY ONE) by IR, electronic spectra, Mossbauer, ESR and Magnetic susceptibility measurement (a) Hexamine cobaltic chloride (b) Sodium Nitroprusside (c) Potassium trioxalato chromate (d) Prussian Blue. (e) Nickel dimethyl glyoxime. 7. Preparation of (ANY TWO) Co (III)/Cr (III) complexes, their purification, molecular weight determination and elucidation of the structures. (a) [Co (NH3)5Cl] Cl2 (b) [Co (NH3)5NO2] Cl2 (c) [Cr (H2O)6] NO3. H2O (d) [Cr (H2O)4 Cl2] Cl. H2O 8. Determination of Mn/Cr/V in steel sample by spectrophotometic method. 9. Determination of Ni/Mo/W/V/U by extractive spectrophometric method. 10. Flame Photometric determination (a) Na and K when present together (b) Li/Ca/Ba/Sr References: 1.Vogels Textbook of Quantitative Chemistry. 2.Synthesis & characterization of Inorganic Compounds by W. L. Jolly, Prentice Hall. 3.Vogels Text book of Macro & Semimicro Qualitative Analysis. ACH 207: A. B. Physical Chemistry LAB

Error analysis and statistical data analysis Adsorption: (i) to study surface tension-concentration relationship for solutions (ii) To study the adsorption of iodine from alcoholic solution of charcoal. (iii) To study the adsorption of acetic acid on charcoal

C. Chemical equilibrium :(i) Determination of congruent composition & temperature of a binary system
Phenol-water (ii) Determination of glass transition temperature of a given salt conductometrically (iii) To construct the phase diagram for a three component systems. (iv) to determine the equilibrium constant for the reaction KI + I2 = KI3. D. Chemical Kinetics: (i) Determination of rate constant of saponification ethyl acetate by NaOH (ii) Determination of the effect of change of temperature, concentration of reactant and catalyst and ionic strength

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of the media on the velocity constant of hydrolysis of an ester (iii) Determination of the velocity constant of hydrolysis of an ester in micellar media. (iv) Determination of the rate constant for the oxidation of iodide ion by hydrogen peroxide, studying the kinetics as an iodine clock reaction (v) Oscillatory reaction: Chemical oscillation & pattern formation in B-Z system. E. Electrochemistry: Conductometry: (i) Determination of velocity constant, order of reaction and energy of activation for saponification of ethyl acetate by NaOH conductometrically. (ii) Determination of solubility and solubility product of sparingly soluble salt conductometrically. (iii) Determination of the strength of strong and weak acids in a given mixture conductometrically. (iv) Determination activity co-efficient of zinc ions in the solution of 0.002 M ZnSO4 using Debye-Huckels limiting law. Potentiometry-pH metry: (i) Determination of strengths of halides in a mixture potentiometrically. (ii) Determination of valancy of mercurous ions potentiometrically. (iii) Determination of the strength of strong and weak acids in a given mixture using a potentiometer-pH meter. (iv) Determination of temperature dependence of e.m.f of a cell. (v) Acid-base titration in a non-aqueous media using a pH meter. (vi) Determination of transport number by Hittrofs method. Cyclic voltametry: (i) To find the redox potential of the given sample using cyclic voltametry. Polarography: (i) Determination of DO in aqueous solution of organic solvent (ii) Determination of half way potential of Cd & Zn EMF: (i) Determination of single electrode potential of Cu/Cu2+ (ii) Potentiometric titration of a redox system (iii) Determination of e.m.f of concentration cell. (i) Determination of rate constant for hydrolysis/inversion of sugar using a Polarimeter (ii) Enzyme kinetics-inversion of sucrose. (i) Determination of pKa of an indicator in aqueous and micellar medium

F. G.

Polarimetry: Spectroscopy:

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(ii) Determination of Stoichiometry and stability constant of inorganic (ferric-salicylic acid) and organic (amineiodine) complexes H. Thermo chemistry: (i) to determine the enthalpy of neutralization of hydrochloric acid with NaOH (ii) Enthalpy of combustion of benzoic acid using DSC.

References: 1. 2. Practical Physical chemistry, Ed. B. P. Lebitte, Longman Practical Physical Chemistry by A. M. James & F. E. Prichard, Longman.

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SEMESTER III

ACH-301: Solid State Chemistry

1. Symmetry & Group Theory in Chemistry Symmetry elements & symmetry operation, Definition of group, sub-group, relation between order of a finite group and its sub-group, Conjugace relation and classes, Point symmetry group, representation of groups by matrices, character of the representation, The great orthogonality theorem (without proof), its importance, character tables & their use. Solid State Reactions General principles, experimental procedures, co precipitation as a precursor to solid state reactions, kinetics of solid state reactions. Crystal Defects & Non-Stoichiometric Perfect & imperfect crystals, intrinsic and extrinsic defects-point defects, line & plain defects, vacancies-Schottky and Frenkel defects, thermodynamics of Schottky & Frenkel defects formation, colour centres, non-Stoichiometry & defects. Electronic Properties and Band Theory Metal, insulators and semiconductors, electronic structure of solids-band theory, bands-structure of metals, insulators and semiconductors, intrinsic and extrinsic semiconductors, doping semiconductors, p-n junctions, super conductors, optical properties-optical reflectants, photoconduction-photoelectric effects, magnetic properties-classification of materials, quantum theory of paramagnetic, co-operative phenomenon, magnetic domains, hysteresius Organic Solids Electrically conducting solids, organic charged transfer complex, organic metals, and new super conductors. X-Ray Diffraction Bragg condition, Miller indices, Laue method, Bragg method, Debye-Scherrer method of X-ray structure analysis of crystals, Index reflection, identification of unit cells, Structure of simple lattices and X-ray intensities, structure factor and its relation to intensity and electron density.

2. 3.

4.

5. 6.

References: 1. Physical methods in Chemistry by R. S. Drago, Saunders College. 2. Chemical Applications of Group Theory by F. A. Cotton, 3. Solid State Chemistry and its Application by A. R. West, Plenum 4. Solid State Chemistry by D. K. Chakraborty, New Age International.

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ACH 302: Industrial Chemistry Introduction: Unit dimension, basic chemical calculations, material balances involving chemical reactions, energy balances, Stoichiometric calculation involving various processes, basic idea about functioning of various industrial equipments like heat-exchangers, economizers, boilers, catalytic converters. Fuels and water: Importance of Solid, liquid and gaseous fuels in industry, criteria for selection of a fuel, calorific value, determination of calorific values using various instrumentation techniques, combustion calculations, solid fuel: coal, carbonization of coal, manufacturing of metallurgical coke, liquid fuel: fractionation of petroleum, thermal and catalytic cracking, LPG, producer gas. Water: Hardness of water and its removal, alkalinity and pH, Boiler feed water quality and treatment procedures, dissolve oxygen and corrosion. Inorganic fine chemicals: manufacturing of sulfuric acid, phosphoric acid, urea, caustic soda. High performance chemicals: hydrazine and boron hydride compounds. Pesticides and Pharmaceuticals: BHC, 2, 4-D, Parathion, Penicillin Polymer: Manufacturing and use of PVC, Rubber, Silicones, Polyamides, Polyesters. Metallurgical industry: Iron, Aluminum and Copper Catalysts: General properties of catalyst, Examples of some Inorganic and polymer catalysts, use in industry. Pollution control aspect in industry, equipments / process used for control of SO x, fly ash, metal pollutants, organic pollutants; hazardous materials and safety aspects in industry. References: 1. Drydens outlines of chemical technology for 21st century, 3rd edn. (2000) M. G. Rao, M.Sittig, East-west Press, New Delhi, ISBN-81-85938-79-2. 2. Stoichiometry, 3rd Edn. B. I. Bhatt, S. M. Vora, Tata McGraw Hill, New Delhi, (1999). 3.Elementary principles of chemical processes, 3rd Edn. R. M. Felder, R. W. Rousseau, John Wiley & Sons, Inc. (2000).

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ACH 303: Organometallic Chemistry

1. Compounds of Transition Metal-Carbon multiple bonds Alkalidenes, Alkalidynes, low valent carbenes and carbines, synthesis, nature of bond, structural characteristics, nucleophilic and electrophilic reaction in the ligand and role in organic synthesis. Alkyls and aryls of transition metals Types, routes of synthesis, stability and decomposition pathways, organo copper in organic synthesis Transition metal -Complexes Preparation, properties, nature of bonding and structural features, important reaction relating to nucleophilic and electrophilic attack on ligands and to organic synthesis. Metal storage transport and biomineralization Ferrityn, Trans Ferrin and Siderophores, Calcium in living cells, transport and regulations, metalloenzymes Metalloenzymes Zinc enzymes-carboxypeptidase and carbonic anhydrates, Iron enzymes- catalase, peroxidase and cytochrome P450, Cu enzymes-superoxide dismutase, Molybdenum oxa transferrage enzyme-xanthene oxidase, coenzyme vitamin B12. Metals in medicine Metal deficiency and disease, toxic effect of metals, metals used for diagnosis and chemotherapy with reference to anticancer drugs. Homogenous Catalysis using Organometallic complexes. ZieglarNatta/Olefin metathesis/ CC, C-S, C-N cross coupling reactions/ Hydroformylation

2. 3.

4.

5.

6. 7.

References: 1. Principles of Bio-inorganic Chemistry by S. J. Lippard & J. M. Berg, University Science Books. 2. Metalo-organic Chemistry by A. J. Pearson, Wiley 3. Supramolecular Chemistry by J. M. Lehn, VCH 4. Inorganic Biochemistry Vol I & II, Editors G. L. Eichhorn, Elsevier 5.. Organometallics, A Concise Introduction by Chrishtoph Elschenbroich & A. Salzer,VCH 6.The Organometallic Chemistry of the Transition metals by Robert H. Crabtree, John Wiley ELECTIVE I ELECTIVE II

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AC304: Industrial chemistry laboratory 1. Water Quality monitoring i.Sampling & preservation i.Physical Examination- pH, electrical conductivity, turbidity, colour odour,TDS,TSS,TS, ii.Chemical Characterization: Major cations & anions,minor cations & anions,Trace & toxic chemical constituents in water iii.Biological Investigations:BOD/COD/TOC, E-coli count 2. Air Quality Monitoring i.Suspended particulate matter in ambient air ii.Flue gas analysis iii.Primary & secondary gaseous pollutants sampling & analysis 3. Soil Analysis: Determination of soil pH conductivity and salinity soil, organic carbon, nitrogen phosphorus, sodium & potassium, CEC available sulphur. 4. Fuels : i.Proximate analysis of coal ii.Ultimate (Elemental analysis of coal) iii.Calorific value determination of solid fuel iv. Calorific value determination of gaseous fuel v.Petrographic studies 5. Lubricants: i.Open & closed flash point determination ii.Aniline /cloud/ pour point determination iii.Viscosity & Viscosity index iv.Carbon residue and

References: 1. 2. 3. Practical Environmental Analysis by Miroslav Radojevic and Vladimir N. Environmental Pollution Analysis by S. M. Khopker, New Age International Vogels Textbook of Quantitative Chemistry Bashkin, RSC. Corporations

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ACH 305Advanced Characterization Lab

Spectroscopic technique: FTIR, UV-Vis, Spectroflurometry Electroanalytical Methods: Electrogravimetry, Coulometry, Conductometric titrations, Voltametry, Amperometry, etc. Potentiometry, Differential

Thermal Methods: Thermogravimetric Analysis, Differential Thermal Analysis, Scanning Calorimetry.

Atomic Force Microscopy, Scanning Electron Microscopy & X-Ray Diffraction technique.

Semester IV

ACH 401: Dissertation / Thesis

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