Abstract

Abstract The near-infrared spectra of formamide and its N- and C-deuterated compounds in chloroform solutions were investigated and a perturbation calculation of the vibrational levels of these isotopic formamides was carried out. The trans -interaction constant and the cubic cross-term constants between the NH stretching and the CNH bending coordinates were found to be necessary to reproduce observed frequencies. The stretching potentials of the trans - and the cis -NH bonds show close correspondence with those of the free and the bonded NH bonds of o -bromoaniline. The correlation between the compliance constants and the change of the CH, CO, and NH bond lengths on the dissociation of the CN bond is discussed.

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