4. Generalization of the Badger Rule Based on the Use of Adiabatic Vibrational Modes

  1. Dr. Jörg Grunenberg
  1. Elfi Kraka,
  2. John Andreas Larsson and
  3. Dieter Cremer

Published Online: 11 OCT 2010

DOI: 10.1002/9783527633272.ch4

Computational Spectroscopy: Methods, Experiments and Applications

Computational Spectroscopy: Methods, Experiments and Applications

How to Cite

Kraka, E., Larsson, J. A. and Cremer, D. (2010) Generalization of the Badger Rule Based on the Use of Adiabatic Vibrational Modes, in Computational Spectroscopy: Methods, Experiments and Applications (ed J. Grunenberg), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527633272.ch4

Editor Information

  1. TU Braunschweig, Institut für Organische Chemie, Hagenring 30, 38106 Braunschweig, Germany

Author Information

  1. Southern Methodist University, Department of Chemistry, 3215 Daniel Ave, Dallas, TX 75275-0314, USA

Publication History

  1. Published Online: 11 OCT 2010
  2. Published Print: 27 OCT 2010

ISBN Information

Print ISBN: 9783527326495

Online ISBN: 9783527633272

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Keywords:

  • adiabatic internal coordinate mode;
  • bond stretching frequency;
  • compliance force constant;
  • effective bond lengths;
  • isolated stretching modes;
  • polyatomic molecules

Summary

This chapter contains sections titled:

  • Introduction

  • Applicability of Badger-Type Relationships in the Case of Diatomic Molecules

  • Dissection of a Polyatomic Molecule into a Collection of Quasi-Diatomic Molecules: Local Vibrational Modes

  • Local Mode Properties Obtained from Experiment

  • Badger-type Relationships for Polyatomic Molecules

  • Conclusions

  • References