Molecular force field for trimethylamine

Abstract

Molecular potential functions are obtained which reproduce the observed frequencies for trimethylamine and three of its deutero-methyl isomers. The fitting procedure employed was a linearized least-square analysis with potential constant regression employed to damp convergence oscillation. It was found that anharmonicity corrections become important in the case of the skeletal motions in almost all cases, and the physical significance of the skeletal stretch-bend interactions derived was checked by independent means using an orbital rehybridization model.