Course : Chem 401F

File: Chem(M) Syl-2005




DEPARTMENT OF CHEMISTRY

FACULTY OF SCIENCE

THE UNIVERSITY OF RAJSHAHI


Syllabus for The Degree of Master of Science (M. Sc) in Chemistry

Session: 2005-2006
Examination – 2006

PHYSICAL CHEMISTRY BRANCH:

Courses	Course Title	Unit	Credit	Marks
Chem-511F	Theoretical Chemistry-III	1.0	4	100
Chem-512F	Spectroscopy-II	1.0	4	100
Chem-513F	Electrolyte solutions and Electrode Processes	1.0	4	100
Chem-514F	Advanced Chemical Kinetics	1.0	4	100
Chem-515F	Physical Chemistry of Macromolecules	1.0	4	100
Chem-511AH	Class Assessment –V	0.5	2	50
Chem-511VH*	Viva-voce–V	0.5	2	50
Chem-511L**	Physical Chemistry Practical –V OR	2	8	200
Chem-599***	Thesis / Dissertation on topics of Physical Chemistry

* Viva-voce examination includes the assessment of the students through oral examination of all the courses.

** Laboratory courses include 30% (60) marks for continuous Lab. assessment.

** Thesis includes 30% (60) marks for oral examination on the thesis.

Examination of the theory courses of 100 marks (1.0 unit, 4 credit) shall be of 4 (four) hours duration, and of the practical courses of 200 marks (1.0 unit, 4 credit) shall be of 24 (twenty for) hours duration (4 days). 30% marks of the practical courses are assigned for continuous Lab. assessment. The students shall submit a report after each Lab. class to the Lab. teacher(s) for evaluation. (After evaluation the report shall be returned to the students). The lab. teacher(s) shall submit the average marks of all Lab. evaluation in sealed envelopes to the chairman of the relevant examination committee within three weeks from the last lab. held.

The class assessment course include tutorial, terminal, home assignment, and /or class examinations taken on theoretical courses by the relevant course teacher(s) during the academic year. The class teacher(s) of each course shall submit the average consolidated marks of class assessments in sealed envelope to the Chairman of the relevant examination committee within three weeks from the last class held. The examination committee shall send a copy of consolidated marks for each of the viva-voce examination, class assessment, lab. evealuation and practical examinations to the controller of examinations

* No student shall be allowed to sit for the examination having less than 60% class attendance.

Course : Chem-511F

Theoretical Chemistry-III

Examination - 4 Hours

Full Marks : 100 (1 unit, 4 credit)

(80 lectures, 4 lectures per week, total 20 weeks )
1. Quantum theory of the chemical bond - diatomic molecules (20 lectures): Born-Oppenheimer approximation; nuclear motion in diatomic molecules; the hydrogen molecule ion (H₂⁺); approximate treatments of H₂⁺ ground electronic state; molecular orbitals for H₂⁺ excited states; molecular orbital (MO) configurations of homonuclear diatomic molecules; electronic terms for diatomic molecules; the hydrogen molecule (H₂); valence-bond (VB) treatment of H₂; comparison of MO and VB theories; MO and VB wave functions for homonuclear diatomic molecules; excited states of H₂; electron probability density; dipole moments; the Hartree-Fock method for molecules; self-consistent-field (SCF) wave functions for diatomic molecules; MO and VB treatments of heteronuclear diatomic molecules; the valence electron approximation; configuration iteration (CI) wave functions.

2. Quantum theory of the chemical bond - polyatomic molecules (20 lectures): Ab inito, density-functional, semiempirical and molecular-mechanics methods; electronic terms of polyatomic molecules; the SCF MO treatment of polyatomic molecules; basis functions; the SCF MO treatment of H₂O; population analysis; the molecular electrostatic potential and atomic charges; localized MOs; the SCF MO treatment of methane, ethane, and ethylene; molecular geometry.

3. -electron theory of organic molecules (10 lectures): Hückel MO theory; the use of symmetry for determining Hückel orbitals; cyclic conjugated polyolefins and Hückel’s 4n + 2 rule; aromaticity and antiaromaticity; non-classical structures; heteroatomic molecules; the free electron model of -electron molecules.

4. Statistical Mechanics and quantum statistics (20 lectures): Phase space and the Liouville’s theorem; equipartition of energy. Quantum statistics: Boltzmann statistics, Fermi-Dirac and Bose-Einstein statistics, comparison of the three statistics; quantum statistics of weakly degenerate and strongly degenerate ideal Fermi-Dirac gases, an ideal gas of photons (blackbody radiation); the density matrix; the classical limit from quantum mechanical expression for Q. Statistical thermodynamics of crystalline solids: vibrational spectrum of a monatomic crystal, Einstein and Debye theories of the heat capacity of crystals, lattice dynamics, phonons, and point defects in crystals. Theories of liquids: The theory of significant structures and the Lennard-Jones Devonshire theory.

Books recommended:

1. 
   Ira N. Levine : Quantum Chemistry
   
2. 
   J.N. Murrel, S.F.A. Kettle & J.M. Tedder : Valence Theory
   
3. 
   P.W. Atkins : Molecular Quantum Mechanics
   

(3rd. edn.)

4. 
   Donald A. Mc Quarric : Quantum Chemistry
   
5. 
   H. Eyring, J. Walter & G.E. Kimball : Quantum Chemistry
   
6. 
   R. Anantharaman : Fundamentals of
   

Quantum Mechanics

7. 
   A.K. Chandra : Introductory Quantum
   

Chemistry

8. 
   Donald A. McQuarrie : Physical Chemistry,
   

A Molecular Approach

9. 
   S. Glasstone : Theoretical Chemistry
   
10. 
    Donald A. McQuarrie : Statistical Thermodynamics
    
11. 
    Gurdeep Raj : Advanced Physical Chemistry
    

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