One-photon mass-analyzed threshold ionization spectroscopy of 1,3,5-trifluorobenzene: the Jahn-Teller effect and vibrational analysis for the molecular cation in the ground electronic state.
One-photon mass-analyzed threshold ionization spectrum of 1,3,5-trifluorobenzene was obtained by using vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The Jahn-Teller parameters for the e' modes (nu(8)-nu(14)) of 1,3,5-C(6)H(3)F(3)(+) in the ground electronic state needed for spectral analysis were taken from the density functional theory results initially and were upgraded through fits to the experimental results. Excellent agreement was achieved between the experimental and calculated Jahn-Teller energy levels. Assignments of the Jahn-Teller inactive modes were accomplished by referring to the calculated frequencies and the selection rule. The ionization energy of 1,3,5-trifluorobenzene determined from the position of the 0-0 band was 9.6359+/-0.0006 eV.
Kwon
Chan Ho
CH
National Creative Research Initiative Center for Control of Reaction Dynamics and School of Chemistry, Seoul National University, Seoul 151-742, Korea.
Kim
Myung Soo
MS