Nonbonded interaction potentials in methyl-substituted butanes, obtained from high-energy overtone spectra
- 1 February 1981
- journal article
- Published by Proceedings of the National Academy of Sciences in Proceedings of the National Academy of Sciences
- Vol. 78 (2) , 686-688
- https://doi.org/10.1073/pnas.78.2.686
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.Keywords
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