Nn. Yakovlev et al., S-1[-S-0 VIBRONIC SPECTRA AND INVERSION POTENTIALS IN THE S-1 STATES OF ACETYL AND FORMYL HALIDES, Journal of structural chemistry, 36(2), 1995, pp. 281-286
The potential functions of inversion in the S-1 states are determined
from the inversion transitions (out-of-plane C=O vibrations) found in
the S-1<--S-0 vibronic spectra of acetyl halide molecules. The high in
tensities of the hot inversion transitions are explained by the high p
robabilities of these transitions. The literature values of the invers
ion potentials (equilibrium values of angles formed by the C=O bonds d
eviating from the planes) of formyl halide molecules in the S-1 states
are refined. The inversion potentials of formyl and acetyl halides ar
e similar.