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

摘要

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.