The electronic and vibrational spectra of the fluoroformyl radical FCO are discussed in the light of ab initio (CASSCF(5 in 4)/6-31+G* and UMP2/6-311G*) calculated adiabatic and vertical transition energies, and vibrational frequencies, for the X2A′, A2A″, B2A′, and C2A″ states. Results for the formyl radical HCO are also presented for comparison.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry