Physical Chemistry IV

Molecular Spectroscopy and Quantum Chemistry

Content

I. Background (not treated during lecture)

II. Chemical Bond - An Introduction

III. Molecular Spectroscopy

IV. Symmetry of Molecules

V. Symmetry of Orbitals and Vibrations

VI. Spectroscopic Techniques
 
 
Links Literature Home Work/Examen !Hint #Constants and conversion table

I. Background

  1. Quantum mechanics introduction
  2. Introduction to Spectroscopy

II. Chemical Bond - An Introduction

  1. Approximations
  2. Wave function Expansion
  3. Linear Combination of Atomic Orbitals (LCAO)
  4. Homonuclear Molecules
  5. Heteronuclear Molecules
  6. Term Symbols and Selection Rules for Electronic Transistions
  7. Hückel's Approach to Molecular Orbitals
  8. Metals - Band Structure

III. Molecular Spectroscopy

  1. Introduction
  2. Optical Transitions
  3. Rotational Spectra
  4. Vibrational- and Rotational-vibrational spectra
  5. Electronic transitions
  6. Dissociation and Predissociation
  7. Ionization, Photoelectron Spectroscopy and REMPI

IV. Molecular Symmetry

  1. General aspects of symmetry
  2. Molecular symmetry
  3. Symmetry elemente and operations
  4. Symmetry classification of molecules
  5. Overview - Symmetry groups of molecules

V. Symmetry of Orbitals and Vibrations

  1. Symmetry Adapted AOs
  2. The Rules of Walsh
  3. Symmetry and Bonding in molecules ABn and ABmCn
  4. Symmetry Aspects of Electronic Transitions
  5. Symmetry in Chemical Reactions - The Rules of Woodward and Hoffmann
  6. Symmetry of Vibrations (Normal Modes)

VI. Spectroscopic Techniques

  1. Atomic Spectroscopy
  2. X-ray and Electron Spectroscopy
  3. Mass Spectrometry
  4. Molecular Spectroscopy
  5. Nonlinear Spectroscopy
Crystal Symmetry (not dealt with in this lecture, note similarity with molecular symmetry)

K.Gericke@tu-bs.de Zugriffe im WS98:2