The infrared band contours of the perpendicular vibrations of CF3Cl, CF3Br, and CF3I were measured in the infrared spectra, and the Coriolis constants for these vibrations were evaluated by a computerhyphen;simulation procedure that calculates the band shape as a function of the molecular parameters. The Coriolis constant for the ngr;5band of CF3Br was evaluated by an analysis of the partially resolvedQbranches in the highhyphen;resolution spectrum. With the vibrational frequencies and Coriolis constants as input data, theEhyphen;species force constants of the general harmonic potential function were evaluated. Two different force fields were found for each molecule that exactly fit the experimental data.
展开▼