Study of the C-D Stretching Vibration Bands v1 of DCCF and DCCBr

Abstract

Abstract The rotational structures of the ν1 bands of the deuterated monohaloacetylenes DCCF and DCCBr were investigated. The rotational constants B in the ground state and in the vibrational states involved were obtained. The centrifugal distortion constants D were calculated from the force constants and the geometrical data, too. The results D = 8.7 x 10-8 cm-1 for DCCF and D = 1.9 x 10-8 cm-1 for DCCBr are compatible with the experimental values (12 ± 4) x 10-8 cm-1 and (2±2) x 10-8 cm-1, respectively.