Size-specific infrared spectra of benzene-(H[sub 2]O)[sub n] clusters (n = 1 through 7): Evidence for noncyclic (H[sub 2]O)[sub n] structures
- Purdue Univ., West Lafayette, IN (United States)
Resonant ion-dip infrared spectroscopy has been used to record size-specific infrared spectra of C[sub 6]H[sub 6]-(H[sub 2]O)[sub n] clusters with n = 1 through 7 in the O-H stretch region. The O-H stretch spectra show a dramatic dependence on cluster size. For the n = 3 to 5 clusters, the transitions can be divided into three types - attributable to free, [pi] hydrogen-bonded, and single donor water-water O-H stretches - consistent with a C[sub 6]H[sub 6]-(H[sub 2]O)[sub n] structure in which benzene is on the surface of a cyclic (H[sub 2]O)[sub n] cluster. In n = 6 and 7 clusters, the spectra show distinct new transitions in the 3500 to 3600 wave number region. After comparison of these results with the predictions of ab initio calculations on (H[sub 2]O)[sub n] clusters, these new transitions have been assigned to double donor O-H stretches associated with the formation of a more compact, noncyclic structure beginning with (H[sub 2]O)[sub 6]. This is the same size cluster for which ab initio calculations predict that a changeover to noncyclic (H[sub 2]O)[sub n] structures will occur.
- OSTI ID:
- 7035357
- Journal Information:
- Science (Washington, D.C.); (United States), Journal Name: Science (Washington, D.C.); (United States) Vol. 265:5168; ISSN SCIEAS; ISSN 0036-8075
- Country of Publication:
- United States
- Language:
- English
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