Infrared and Raman spectra of difluoromalononitrile: Vibrational assignment, normal coordinate analysis and thermodynamic functions

Abstract

The infrared and Raman spectra of difluoromalononitrile [CF 2(CN) 2] are reported from 200–4000 cm −1. Complete vibrational assignments and normal coordinate analysis are reported and statistical thermodynamic functions calculated. The shift of the CN stretching frequency relative to its value in CF 3CN is correlated with the effective electronegativity of X atoms in the acetonitrile structure.