S. Charles, Geraint I. L. Jones, N. L. Owen
May 1, 1973
Citations
0
Influential Citations
40
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The infrared spectra of ethyl formate, chloroformate, and cyanoformate in the liquid phase have been recorded in the region 4000–4020 cm −1 , and in the solid and vapour phase and in solution in the region 4000–4200 cm −1 . Evidence is reported for the existence of two rotameric forms in each case. Normal coordinate calculations are reported for both rotameric forms of the first two esters, and assignments based on potential energy distributions are given. These assignments show considerable mixing of the normal modes and suggest the inadequacy of simple assignments made by comparison with related molecules. Calculated mean amplitudes are also reported for the first two molecules.