The dipole change vector for isolated CH stretches 1. Partially deuterated methyl bromide

Infrared Spectra of Chloroethane Species, a Scaled ab Initio Force Field, Infrared Intensities, Atomic Polar Tensors, and Effective Charges

“…New values for the v T H bands in CHD2CD2CI are derived from an improved division of the total intensity in the vCH region between the two conformers present, made possible by contour simulations. 26 The intensity sum rule is closely obeyed. '* The experimental results and the theoretical calculations both show a high degree of additivity of intensity, per CH bond present, despite the plethora of combination and overtone bands in the spectrum of the 4 species.…”