The average structure and force constants of gaseous trichlorofluoromethane determined by electron diffraction and spectroscopy

Abstract

The molecular structure and mean amplitudes of CC1 3F have been determined by gas electron diffraction. General quadratic force constants have been derived from vibrational frequencies, Coriolis coupling constents, a centrifugal distortion constant and mean amplitudes. The zero-point average structure obtained by a joint analysis of electron diffraction and microwave spectroscopic data has been compared with structures given by molecular mechanics and ab initio calculations.