Abstract

The VUV absorption spectrum of acetonitrile between 7 and 20 eV was obtained at high resolution using monochromatised Kr lamp radiation and synchrotron radiation as photon excitation sources. Absorption cross sections were measured over the spectral range studied. We have reinterpreted or assigned for the first time the bands of four valence transitions in the 7–12 eV region, aided by M.O. calculations of transition energies and oscillator strengths. These assignments also required consideration of vibronic symmetry conditions in electronic transitions not previously discussed in the context of the interpretation of acetonitrile VUV absorption spectra. Considerable revision of previously assigned Rydberg transitions converging to the ground 12E and first excited 12A1 states of the cation in the 8.9–13.2 eV region was also effected. The vibrational modes and frequencies in the valence and Rydberg states and their relation to bonding characteristics of the molecular orbitals are discussed in detail. Absorption features in the 14.2–15.4 eV higher energy region, probably involve Rydberg transitions converging to the 22E ion state at 15.133 eV.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call