Nonbonded interaction potentials in methyl-substituted butanes, obtained from high-energy overtone spectra

  1. M. Ali Mohammadi and
  2. Bryan R. Henry*
  1. Department of Chemistry, University of Manitoba, Winnipeg, Canada R3T 2N2

Abstract

The observed decrease in local mode anharmonicity with increasing methyl substitution in butane is related to a change in potential energy along a methyl CH-stretching coordinate. The potential energy change is modeled by Lennard-Jones 6-12 and Morse potentials and the resultant potential parameters are discussed.

Footnotes

  • ↵ * To whom reprint requests should be addressed.

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  1. PNAS 1981-02 vol. 78 no. 2 686-688
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