Chemical Applications of Group Theory-Graduate level

Hikmat S. Hilal's picture
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Course Outline: 
Chemical Applications of Group Theory (Chem. 423522) Level: Graduate Students: M.Sc. Level (compulsory), 3 Credits, 3 Lectures a week. Prerequisites: M.Sc. Level. Objectives: The course helps the student understand basics of group theory and its applications to different aspects of chemistry. Bonding theory, metal clusters, vibrational spectroscopy, absorption spectroscopy and organic reactions are rigorously involved. Course description: The course starts with terminology and definitions of molecular symmetry operations, matrix representation, point groups, reducible and irreducible representations, character tables and reduction equation. Applications of group theory to different aspects of chemistry, specially bonding, structure and spectroscopy, are rigorously included. Course Contents: No. Topic Lectures Ref. 1 Symmetry Operations 3 1+2+3 2 Symmetry Point Groups 6 1+2+3 3 Representations, character Tables, Reduction Formulas, and classes 6 1+2+3 4 Application in Valence Bond theory (VBT) & hybrid orbitals, and Molecular Orbital Theory 6 1+2+3 1st Test 1 7 Applications in Vibrational Spectra (IR and Raman Spectra) 5 1+2+3 5 Applications in Molecular Orbital Theory: Diatomics, triatomics (Walsh Diagrams), and complexes, 7 4+7+8 6 Applications in organic cyclic systems, Huckel’s aromaticity, conjugated systems 7 4+7+8 2nd Test 1 9 Applications in concerted organic reactions 5 5+6 If time allows: metal atom clusters Final Exam 2 Total 48 Intended Learning Outcomes: Upon completing this course, the students are expected to able to: 1) Understand and implement details of molecular symmetry including symmetry elements, operations and symmetry point groups to different chemical compound structures 2) Understand necessary mathematical basics needed for group theory, including matrices, reduction formula, reducible and irreducible representations 3) Apply group theory in valence bond theory treatment of structure and bonding 4) Apply group theory in molecular orbital theory treatment of bonding and structure 5) Apply group theory in studying vibrational spectra of different inorganic compounds. 6) Apply group theory to predicting concerted organic reactions. References: 1) Hikmat S. Hilal & Abdel-Hafez Sayda, Manuscript, A Short Course on Group Theory and Chemical Applications, Novascience Publ., 2011. 2) A. Vincent, Molecular Symmetry and Group Theory 3) F.A. Cotton, Chemical Applications of Group Theory, J. Wiley 4) J. Barrett, Introduction to Atomic Molecular Structure, J. Wiley 5) I. Fleming, Frontier Orbitals and Organic Chemical Reactions, J. Wiley 6) G.B. Gill & M. R. Willis, Pericyclic Reactions, Chapman 7) B. Douglas, D. H. McDaniel, J. J. Alexander 8) R. L. Carter, Molecular Symmetry and Group Theory, J. Wiley & Sons, 9) Library search and primary sources. Updated by: HSH Jan, 2013