High-resolution infrared studies of ν1, 2ν1, and 2ν4 bands of CH35Cl3

The C-H stretching fundamental band nu(1) (3033 cm(-1)) of chloroform (CHCl3)-Cl-35 has been investigated together with the first overtone 2nu(1) (5941 cm(-1)) in order to determine the rotation vibration parameters. From the nu(1) band alpha(1)(c) = -0.025 46(41) x 10(-3) cm(-1) and alpha(1)(B) = -0.010 688(44) x 10(-3) cm(-1) were obtained. The hot bands connected to the low lying fundamentals nu(3) and nu(6) have been analyzed and anharmonicity constants have been derived. Both the parallel and the perpendicular component band of the C-H bending overtone 2nu(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-o- C-nu = 0.025 262(20)x 10(-3) cm(-1), B-o-B-nu = 0.134 883 (25)x 10(-3) cm(-1), and (Czeta)(nu) = -0.111867 56 (30) cm(-1) were obtained. (C) 2002 Elsevier Science (USA).