Vibrational spectra of halobenzene cations in the ground and B˜ [sup 2]B[sub 2] electronic states obtained by one-photon mass-analyzed threshold ionization spectrometry

Kwon, Chan Ho; Kim, Hong Lae; Kim, Myung Soo
June 2002
Journal of Chemical Physics;6/15/2002, Vol. 116 Issue 23, p10361
Academic Journal
Vibrational spectra in the ground electronic states, &Xtilde;²B[sub 1], of fluoro-, chloro-, bromo-, and iodobenzene cations and in the excited electronic states, &Btilde;²B[sub 2], of chloro- and bromobenzene cations have been measured by mass-analyzed threshold ionization (MATT) via one-photon excitation with vacuum ultraviolet light. The spectra consist mostly of strong 0-0 bands and fundamentals, overtones, and combinations of totally symmetric a l modes. In particular, the observed vibrational bands in the B states have been assigned by referring to the assignments for the ionic ground states and those for the neutral molecules. From the MATT spectra, the ionization energies of fluoro-, chloro-, bromo-, and iodobenzene to the ionic ground states have been determined to be 74229±5, 73177±5, 72570±5, and 70638±+5 cm[sup -1], respectively. The ionization energies to the B states have also been determined to be 91404±5 and 85 822 ± 5 cm [sup -1] for chloro- and bromobenzene, respectively.


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