T. Krossner et al., AB-INITIO INVESTIGATION OF THE VIBRATIONAL STRUCTURE OF ABSORPTION AND EMISSION-SPECTRA OF FCO, The Journal of chemical physics, 101(5), 1994, pp. 3981-3988
Results of an ab initio study of the vibrational structure of several
electronic spectral systems of FCO are presented. An interpretation of
hitherto recorded spectra, as well as a prediction of features of yet
unobserved electronic transitions is given. The absorption spectra ob
served in the uv spectral region are ascribed to the transitions invol
ving the first excited states of (2)A' and (2)A'' character. The emiss
ion spectrum obtained by Toby and Toby [J. Phys. Chem. 85, 4071 (1981)
] is assigned to the transition X (2)A' <-- 2 (2)A''. Reassignment of
some observed vibrational bands is proposed.