Nonbonded interaction potentials in methyl-substituted butanes, obtained from high-energy overtone spectra.
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.
Department of Chemistry, University of Manitoba, Winnipeg, Canada R3T 2N2.
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MA
Mohammadi
B R
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Henry