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SYLLABUS for M.Sc Chemistry
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CYL401: Diffraction Methods of Analysis
Credit: 3-0-0
Crystal structure determination by X-ray crystallography (30 Hrs.):
Generation of X-rays, monochromatization of X-rays, calculation of linear absorption
coefficient, notation of symmetry elements according to Hermann Mauguin system, screw axes,
glide planes, space groups, examples of space groups such as PI, C2, C2/c, P2, P21 (triclinic and
monoclinic space groups) and derivation of their equivalent positions, the diffraction of X-rays
by crystals, reciprocal lattice, indices, derivation of interplanar spacing in term of h, k, l and unit
cell parameters, Bragg’s law in reciprocal space, unit cells, unit cell shapes in terms of
reciprocal lattice and direct lattice, methods of growing crystals, determination of density of
crystal by flotation method, determination of number of molecules per unit cell, selection of
crystals.
Description of oscillation photograph, zero level Weissenberg photograph, upper level
Weissenberg photograph (in all the three cases only simple description of various type of X-ray
photographs would be necessary), systematic absences, determination of space groups from
systematic extinctions on diffraction photographs, derivation of space group extinctions.
Four circle diffractometer, data collection by use of four circle diffractometer, intensity
data collection, Friedel’s law, factors affecting intensity data, unique data for triclinic,
monoclinic and orthorhombic lattices (emphasis on photographic and diffractometer methods),
data reduction and scaling of data using Wilson method. Structure factors, calculation of
structure factors, derivation of various structure factor relationships, effect of centre of
symmetry on the structure factor, Patterson syntheses, the sharpened Patterson map, the Harker
sections and lines in Patterson space, Fourier syntheses, difference Fourier syntheses, heavy
atom method Isomorphous addition, Isomorphous displacement and anomalous dispersion
methods, direct-methods (brief introduction using centrosymmetric case only). Refinement of
structure, determination of absolute configurations, calculation of bond distances and bond
angles, limitations of X-ray diffraction techniques. (book 2)
Powder Method ( 9 Hrs):
The powder method, indexing of powder photograph of cubic lattice by graphic and analytical
methods, qualitative and quantitative analysis using the powder method (Book 4).
M.Sc. Chemistry (Hons. School) Semester – I
(Under Credit Based Continuous Evaluation Grading System)
4
Neutron Diffraction (3 Hrs):
Elementary theory of neutron diffraction, study of hydrogen bonds, hydrates and other hydrogen
containing compounds, magnetism, limitations, (Book 1).
Electron Diffraction (3 Hrs.):
Scattering of electrons by gases, visual method, sector method structure of some molecules
studies by electron diffraction, limitation of electron diffraction (Book 1).
Books Recommended:
1. P.J. Wheatley, Molecular Structure, Oxford.
2. G.H. Stout and L.H. Jensen, X-ray Structure Determination – A Practical Guide, The
Macmillan Company.
3. G.H.W. Milburn, Some Crystallographic Principles, Butterworth and Co.
4. L.V. Azaroff and M.J. Buerger, The Powder Method. New York, McGraw Hill Company.
M.Sc. Chemistry (Hons. School) Semester – I
(Under Credit Based Continuous Evaluation Grading System)
5
CYL402: Organometallics
Credit: 3-0-0
1. Introduction
2. The 18 Valence Electron Rule: Introduction, The 18 electron rule, counting of electrons and
finding metal-metal bonds and related problems.
3. Alkyl, Aryl and Ligands with Higher Hapticity:
(i) Sigma bonded alkyl groups as ligands: Synthesis of metal-alkyl compounds, β-hydride
elimination, σ-bonded η1-aryl ligands.
(ii) Cyclic and acyclic polyenyl π-bonded ligands: Cyclopentdienyl (Cp-), Synthesis of Cp
based sandwich compounds, Structure and properties of MCp2 complexes, The first
metal-sandwich compound Ferrocene, Reactions of metal-sandwich compounds, Bent
sandwich compounds, Schwartz reagent and hydrozirconation, Chemistry of Cp*,
Chemistry of arene sandwich compounds, Allyl groups as ligands, 1,3-Butadiene
complexes, Cyclobutadiene complexes, Cycloheptatriene and Cyclooctatetraene as
ligands. Davies-Green-Mingos (DGM) rules.
(iii) Ferrocene: Structure and bonding of ferrocenes, Basic chemical reactions of Ferrocene,
Reactions of Acetyl Ferrocene and formyl Ferrocene, lithiated ferrocenes and their
reactions, (Dimethylaminomethyl)Ferrocene and its methiodide salt, Ferrocene boronic
acid and haloferrocenes, Chirality in Ferrocene derivatives, Synthesis of chiral Ferrocene
based compounds, Ferrocene based condensation polymers.
(iv) Recaptulation of Metal carbonyls.
4. Applications of Organometallic Complexes to Catalysis:
Catalysis, Terminology in catalysis, sequences involved in a catalysed reaction, asymmetric
synthesis using a catalyst, Hydrogenation catalysts, classification of hydrogenation catalysts,
catalytic cycle of Wilkinson’s catalyst, catalytic cycles of iridium and ruthenium based catalysts,
hydrogenation by lanthanide organometallic compounds, catalytic asymmetric synthesis,
Hydroformylation: Cobalt catalysts and phosphine modified cobalt catalysts, Rhodium-phosphine
catalysts, factors affecting the n/iso ratio of hydroformylation products; Methanol Carbonylation
and Olefin Oxidation: Monsanto, Cativa and Wacker Processes,; Polymerisation and
oligomerisation of olefins and dienes, carboxylation of olefins, carbonylation of methanol,
Synthetic gas.
5. Bioorganometallic Chemistry:
Role of organometallics in heavy metal poisoning: Mercury and Arsenic poisoning,
organometallic compounds as drugs: ruthenium and ferrocene based drugs; Organometallics as
radiopharmaceutical, tracers, ionophores and sensors.
M.Sc. Chemistry (Hons. School) Semester – I
(Under Credit Based Continuous Evaluation Grading System)
6
Books Recommended:
1. J.E. Huheey, Inorganic Chemistry Principles of Structure and Reactivity, Harper Inter-Science.
2. F.A. Cotton and G. Wilkinson, Advanced Inorganic Chemistry, Wiley Inter-Science.
3. B.D. Gupta and A.J. Elias, Basic Organomettallic Chemistry, Universities Press.
4. C.E.A. Salzer and E. Elchinbroich, Organometallics, A Concise Introduction Chemistry, VCH.