Comparative Analysis of the Vibrational Structure of the Absorption Spectra of Acrolein in the Excited (S-1) Electronic Stateстатья
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Аннотация:The assignments of absorption bands of the vibrational structure of the UV spectrum are om-pared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited (S-1) electronic state. The nu(00trans) = 25861 cm(-1) values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state (S-1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v’) transition bands of the torsional vibration of the trans isomer in the Deslandres table from the nu(00trans) trans origin allowed the table to be extended to high quantum numbers v’. The torsional vibration frequencies up to v’ = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited (S-1) electronic state.