High-Resolution Infrared Studies of ν 1, 2ν 1, and 2ν 4 Bands of CH 35Cl 3

Abstract

The C–H stretching fundamental band ν 1 (3033 cm −1) of chloroform CH 35Cl 3 has been investigated together with the first overtone 2ν 1 (5941 cm −1) in order to determine the rotation vibration parameters. From the ν 1 band α 1 C =−0.025 46(41)×10 −3 cm −1 and α 1 B =−0.010 688(44)×10 −3 cm −1 were obtained. The hot bands connected to the low lying fundamentals ν 3 and ν 6 have been analyzed and anharmonicity constants have been derived. Both the parallel and the perpendicular component band of the C–H bending overtone 2ν 4 have also been studied. In the parallel band (2410 cm −1) more than 900 lines were included in the fit. In the perpendicular band (2443 cm −1) 2615 lines were fitted using a model with one resonance. Among other things the results C 0− C v =0.025 262 (20)×10 −3 cm −1, B 0− B v =0.134 883 (25)×10 −3 cm −1, and ( Cζ) v =−0.111 867 56 (30) cm −1 were obtained.