Mass-analyzed threshold ionization study of vinyl bromide cation in the first excited electronic state using vacuum-ultraviolet radiation generated by four-wave mixing in Hg.
The vibrational spectrum of the vinyl bromide cation in the first excited electronic state A 2A' was obtained by one-photon mass-analyzed threshold ionization (MATI) spectroscopy. The use of an improved vacuum-ultraviolet radiation source based on four-wave sum frequency mixing in Hg resulted in excellent sensitivity for MATI signals. From the MATI spectrum, the ionization energy to the A 2A' state of the cation was determined to be 10.9150+/-0.0006 eV. Nearly complete vibrational assignments for the MATI peaks were possible by utilizing the vibrational frequencies and Franck-Condon factors calculated at the density-functional theory (DFT) and time-dependent DFT/B3LYP levels with the 6-311+G(df,p) basis set.
Lee
Mina
M
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
D002412:Cations; D002627:Chemistry, Physical / Q000379:methods*; D004583:Electrons; D004867:Equipment Design; D008027:Light; D008628:Mercury / Q000737:chemistry*; D008956:Models, Chemical; D008962:Models, Theoretical; D017785:Photons; D011789:Quantum Theory; D012984:Software; D013053:Spectrophotometry / Q000295:instrumentation* / Q000379:methods; D014466:Ultraviolet Rays; D014618:Vacuum; D014753:Vinyl Compounds / Q000737:chemistry*
D002412:Cations; D014753:Vinyl Compounds; C003763:vinyl bromide; D008628:Mercury