THE INFRARED AND RAMAN SPECTRA OF $CH_{3}C=CCl$ AND $CD_{3}C=CCl$

Author Institution: Division of Pure Chemistry, National Research Council of CanadaThe infrared and Raman spectra of 1-chloropropyne (I) and 1-chloropropyne-$d_{3}$ (II) have been investigated. The only previous spectroscopic work of Cleveland and Murray is the Raman spectrum of I in impure state. Meister’s normal coordinate calculation of the fundamentals of I has been revised and used to calculate the spectrum of II in close agreement with that observed. The Coriolls coupling coefficients of three of the perpendicular-type fundamentals of I have been determined, and the values of the other two have been shown to be near unity. Two coupling coefficients for II were also obtained. Extinction coefficients have been measured for the infrared bands in solution, and intensities and depolarization ratios of the liquid Raman bands have been obtained photoelectrically. The isotope effect on the intensity of the C-C1 stretching vibration is very much higher in the Raman effect than in infrared absorption. The isotopic frequency shift for this vibration is also abnormally high,$\sim 5%$