Lectures: 16 h - Tutorials: 8 h - Preceptorship: 2 h

Objectives

To use the concepts and the nomenclature of group theory in the calculation of molecular orbitals, visible/UV spectroscopy and molecular vibration.

Syllabus

1. Basics of group theory
   
   
   • Example of the use of symmetry
     
   • Symmetry operations group
     
   • Linear representation of a symmetry group
     
   • Elements of characters theory
   
   
2. Applications
   
   
   • Molecular orbitals calculations
     
   • Tensor product and applications
     
   • Molecular vibration
   
   
3. Electronic structure of molecules
   
   
   • Fragments AH₂, AH₃ and AH₄
     
   • Complex molecules
     
   • Coordination chemistry

Tutorials

1. Recognition of symmetry groups
   
2. Construction of molecular orbitals (two sessions)
   
   
   • Benzene π system
     
   • PH₅
     
   • NiCl₄
     
   • Chromium dibenzene
   
   
3. Infra-Red Spectroscopy: BF₃ and SnCl₆

Preceptorship

• Jahn-Teller effect
  
• Carbocations stability

Requirements : Knowledge of atomic orbitals; two AOs two centers interactions.

Evaluation mechanism : Written examination.

Last Modification : Friday 9 June 2017