Molecular spectroscopy and structure

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Course details

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Course lecturers:
Dr Colin Western (CMW)

Date: Autumn 2009
See also: Wikipedia notes on this course

Table of contents

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1. Textbooks
   1. Texts recommended by the lecturers
   2. Other coverage
2. Diatomic Molecules
   1. Molecular orbital diagram; Term Symbols; Selection Rules
   2. Separation of motions
3. Rotation
   1. Energy levels of linear molecules
   2. Moments of inertia; determining geometry from rotational constants
   3. Non-linear molecules; symmetric and asymmetric tops
   4. Microwave spectroscopy; application to astronomy
4. Electronic States
   1. Term symbols for polyatomic molecules
   2. Change of orbital energy with geometry - Walsh diagrams for H₂O, NH₃ and C₂H₄ (π orbitals)
   3. Consequences for electronic and photoelectron spectrum
   4. Selection rules. Rovibronic Spectra
5. Characteristics of Electronic Transitions
   1. Transition strength/dipole; Forbidden transitions
   2. Types of transitions and chromophores: d–d; charge transfer; π−π*, n−π*
6. Vibration
   1. Potential energy curves and Franck-Condon factors; Photoelectron spectroscopy
   2. Normal modes and symmetry. Infrared active and inactive modes. Force constants.
   3. Degenerate modes
      

Textbooks

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Texts recommended by the lecturers

• Modern Spectroscopy (4th edition)
  J. M. Hollas
  Wiley (2003)
  ISBN 978-0-470-84416-8 (Wiley, Amazon.co.uk)
  
  
• High Resolution Spectroscopy (2nd edition)
  J. M. Hollas
  Wiley (1998)
  ISBN 978-0-471-97421-5 (Wiley, Amazon.co.uk)

Other coverage

• Atkins' Physical Chemistry,
  Peter Atkins, Julio de Paula
  Oxford University Press (2010)
  ISBN 978-0-19-954337-3 (OUP, Amazon.co.uk)
  Online resource centre: http://www.oxfordtextbooks.co.uk/orc/pchem9e
  
  

  The standard undergraduate-level physical chemistry textbook, Atkins was first published in 1978. It is written by Professor Peter Atkins, a fellow of Lincoln College, Oxford (yes, the same Oxford that lost the boat race this year :P) and Professor Julio de Paula of Lewis & Clark College, Oregon, USA. The ninth edition has just been published (early 2010). The relevant chapters for this course are: Chapter 12: Molecular spectroscopy 1: rotational and vibrational spectra Chapter 13: Molecular spectroscopy 2: electronic transitions Chapter 14: Molecular spectroscopy 3: magnetic resonance

  
  
• Related Bristol chemistry notes:
  • WP: Level 3 Group theory in chemistry
  • WP: Level 3 Theoretical chemistry
  • WP: Level 2 Theoretical chemistry
  • WP: Level 2 Photochemistry
  • WP: Level 1 Spectroscopy

Diatomic Molecules

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Coming soon!