Group Theory and Chemistry
Group Theory and Chemistry
This course is a comprehensive treatment of application of Group Theory in chemistry
The topics covered:
• Symmetry elements and symmetry operations
How to write down all the symmetry operations associated with a symmetry element
• Group postulates
Closure property, existence of identity, associativity property and Inverse property
• Types of groups -abelian, nonabelian and cyclic groups
• Multiplication tables
• Similarity transformations, order and class of a group
Separation of operations of a group into classes using similarity transformations
• Point group – Schoenflies notation
Assigning point groups to molecules -systematic procedure
• Sub Groups, cyclic Groups and isomorphic Groups
• Transformation matrices for symmetry operations
• Representations of a group – reducible and irreducible representations
• Great orthogonality theorem and construction of character tables (C2v , C3v , C2h)
• Assignment of symmetry species to translational motion, rotational motion and d-orbitals
• Standard reduction formula
• Molecular vibrations-symmetries of normal modes of vibration of molecules and predicting their IR and Raman activity
• Wave functions as basis for irreducible representations
• Direct product representations
• Symmetry selection rules for electronic transitions in simple molecules
• Symmetry selection rules for IR and Raman spectra – rule of mutual exclusion
• Projection operators
• Simplification of Huckel’s Molecular orbital calculation using group theory-
Molecular wave functions and their energies for ethylene, Molecular wave functions and delocalization energy for butadiene and cyclopropenyl systems
• Hybridization scheme for sigma orbitals
• Practice exercises are given wherever necessary
Point groups, character tables, applications
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What you will learn
- The student will be able to write down all the symmetry operations associated with a symmetry element. Will know the postulates defining a group
- Will be able to separate the elements of a group into various classes using similarity tranformations
- Will be able to find out the symmetries of normal modes of vibration of molecules and predicting their IR and Raman activity
Rating: 5
Level: Expert Level
Duration: 17 hours
Instructor: Chitra Thomas
Courses By: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
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