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• W1984864552 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 π orbital of the benzene cation moiety. This is a sharp contrast to [benzene−(H2O)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 ≥ 5. The intracluster electron-transfer reaction leading to the (methanol)m+ fragment was also seen upon vibrational and electronic excitation of n ≥ 4." @default.
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• W1984864552 date "2005-09-30" @default.
• W1984864552 modified "2023-09-23" @default.
• W1984864552 title "Electronic and Infrared Spectroscopy of [Benzene−(Methanol)<i>_n</i>]⁺ (<i>n </i>= 1−6)" @default.
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• W1984864552 doi "https://doi.org/10.1021/jp052252y" @default.
• W1984864552 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16866396" @default.
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