Force constants of hydrazoic acid and methyl azide

Abstract

A valence force field has been derived for hydrazoic acid using the frequencies and centrifugal distortion constants in an iterative computation. The Urey-Bradley force field is inadequate if a fit of the distortion constants is required. The force constants of HN₃ have been combined with those of a “standard methyl group” to predict the frequencies of methyl azide. A re-examination of the spectra of CH₃N₃ and CD₃N₃ plus the calculations have led to revised assignments of the fundamentals.