Vibrational Spectra and Thermodynamic Properties of ClF3 and BrF3

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Abstract
The Raman and infrared spectra of ClF3 and BrF3 have been studied. The spectra of ClF3 give strong support for a planar T-shaped molecular model. The spectra of BrF3 are less complete but are sufficiently similar to that of ClF3 to confirm a like shape for this molecule. The fundamental vibrational frequencies of ClF3 observed for the vapor are 326(a1), 364(b2), 434(b1), 528(a1), 703(b1), and 752(a1) cm-1. S0 for ClF3, calculated statistically at the boiling point, 11.75°C, is 66.60 cal mole-1 deg-1 compared to the value of 67.04 obtained from a revised calculation of this quantity from available thermal data. For BrF3 only two fundamental frequencies were observed in the vapor, 613(b1) and 674(a1) cm-1; the others were estimated by a normal coordinate calculation. S0 for BrF3 calculated statistically is 70.86 cal mole-1 deg-1 at 43.11°C compared to a value of 71.90 calculated from available thermal data. Tables of the thermodynamic functions of ClF3 and BrF3 from 250 to 1000°K are given.

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