Vibrational spectra and force constants of ClNCCl 2

Abstract

New infrared and Raman data have been obtained on gas, liquid, and solid phase samples of three isotopic species of N-chloro-isocyanid dichloride, namely, ClNCCl 2, Cl 15NCCl 2, and ClN 13CCl 2, leading to revised fundamental frequency assignments. Special attention was paid to the deformation vibrations for which wrong assignments exist in the literature. The general valence force field confirming the revised frequency assignments has been determined using presently available electron diffraction data and reflects the somewhat unusual electronic situation in the molecule.