Vibrational Spectra and Structure of Acetone Oxime and Acetone Oxime-O-d

Abstract

The infrared and Raman spectra of acetone oxime have been investigated from 70 to 4000 cm−1. Spectra have been obtained for the gaseous, liquid, and polycrystalline materials, and the data have been interpreted in detail. A suggested vibrational assignment for the molecule is based upon group frequency correlations, relative band intensities, and isotopic and vapor‐solid frequency shifts. The interesting methyl torsional vibrations were assigned to a band at 217 cm−1 in the infrared spectrum recorded at liquid nitrogen temperatures. The magnitude of the internal rotational barrier for solid acetone oxime is estimated to be 3.0 kcal/mole. The results of this analysis are considered in conjunction with previous studies on similar molecules.