title: Electronic and infrared spectroscopy of [benzene-(methanol)(n)](+) (n = 1-6).
abstract: The microsolvation structure of the [benzene-(methanol)(n)](+) (n = 1-6) clusters was analyzed by electronic and infrared spectroscopy. For the n = 1 and 2 clusters, further spectroscopic investigation was carried out by Ar atom attachment, which has been know as a useful technique for discriminating isomers of the clusters. The coexistence of multiple isomers was confirmed for the n = 1 and 2 clusters, and remarkably, preferential production of the specific isomers occurred in the Ar attachment. The most stable isomer of the n = 1 cluster was suggested to be of the "on-ring" structure where the nonbonding electrons of the methanol moiety directly interact with the pi orbital of the benzene cation moiety. This is a sharp contrast to [benzene-(H(2)O)(1)](+), exhibiting the "side" structure, where the water moiety is bound to the C-H sites of the benzene cation moiety. The structure of the n = 2 cluster was discussed with the help of density functional theory calculations. Spectral signatures of the intracluster proton-transfer reaction were found for n > or = 5. The intracluster electron-transfer reaction leading to the (methanol)(m)()(+) fragment was also seen upon vibrational and electronic excitation of n > or = 4.
authors.affiliation: Department of Chemistry, Graduate School of Science,Tohoku University, Sendai 980-8578, Japan.
authors.forename: Satoko
authors.initials: S
authors.lastname: Enomoto
authors.forename: Mitsuhiko
authors.initials: M
authors.lastname: Miyazaki
authors.forename: Asuka
authors.initials: A
authors.lastname: Fujii
authors.forename: Naohiko
authors.initials: N
authors.lastname: Mikami