A relationship between infrared band intensity and configuration of the cyano group in simple and fused cyclohexanecarbonitriles

Abstract

Infrared spectral measurements were carried out to obtain the integrated intensity of the stretching vibration band of the cyano group in simple and fused cyclohexanecarbonitriles in carbon tetrachloride solution. A linear relationship was found between the integrated intensity and the square of the number (N) of C_β–C_γ bonds parallel to the CN bond. This result was theoretically supported by CNDO/2 calculations.