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Title:NEAR-INFRARED SPECTROSCOPY OF SMALL PROTONATED WATER CLUSTERS
Author(s):Wagner, J. Philipp
Contributor(s):Duncan, Michael A; McCoy, Anne B; McDonald II, David C
Subject(s):Fundamental interest
Abstract:Small protonated water clusters and their argon tagged analogues of the general formula H$^{+}$(H$_{2}$O)$_{n}$Ar$_{m}$ have been generated in a pulsed electric discharge source. Clusters containing $n=1-8$ water molecules were mass-selected and their absorptions in the near-infrared were probed with a tunable Nd$colon$YAG pumped OPA/OPA laser system in the region from 4850$-$7350 cm$^{-1}$. A doublet corresponding to overtones of the free O$-$H stretches of the external waters was observed around 7200 cm$^{-1}$ that was continuously decreasing in intensity with increasing cluster size. Broad, mostly featureless absorptions were found around 5300 cm$^{-1}$ associated with stretch/bend combinations and with the hydrogen bonded waters in the core of the clusters. Vibrational assignments were substantiated by comparison to anharmonic frequency computations via second-order vibrational perturbation theory (VPT2) at the MP2/aug-cc-pVTZ level of theory.
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96969
DOI:10.15278/isms.2017.TE08
Date Available in IDEALS:2017-07-27


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