Rotational Structure in Molecular Infrared Spectra


  • Carlo di Lauro, University of Napoli Federico II, Italy

Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effects on the values of matrix elements. Designed for researchers and PhD students involved in the interpretation of vibration-rotation spectra, the book intentionally separates basic theoretical arguments (in the appendices), allowing readers who are mainly concerned with applications to skip the principles while at the same time providing a sound theoretical basis for readers who are looking for more foundational information.
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Physical and theoretical chemists, analytical and biochemists, physicists, astronomers, atmosphericists, astrophysicists, and graduate-level/post-doctoral students in these disciplines


Book information

  • Published: May 2013
  • Imprint: ELSEVIER
  • ISBN: 978-0-12-407771-3

Table of Contents

1. The Vibration-Rotation Problem
2. Interaction of Matter and Light
3. Molecular Symmetry and Spectroscopy
4. Symmetry of Wavefunctions in Vibration-Rotation Spectroscopy
5. Nuclear Spin Statistical Weights
6. Expansion and Transformations of the Vibration-Rotation Hamiltonian
7. Effects of Centrifugal Distortions
8. Spectra of Symmetric Top Molecules
9. Spectra of Asymmetric Top Molecules
10. Spectra of Spherical Top Molecules
11. Floppy Molecules
Appendix 1: Phases of Wavefunctions
Appendix 2: Eigenfunctions of Commuting Operators
Appendix 3: Coupling of Angular Momenta
Appendix 4: Angular Momentum Matrix Elements
Appendix 5: The Full Rotation Group and Irreducible Spherical Tensors
Appendix 6: Direction Cosine Operators
Appendix 7: Harmonic Oscillators
Appendix 8: Vibrational Normal Modes and Coriolis Coefficients
Appendix 9: Contact Transformation and Perturbation Methods