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Title:VIBRATIONAL SPECTROSCOPY OF BENZENE-(WATER)N CLUSTERS WITH N=6,7
Author(s):Tabor, Daniel P.
Contributor(s):Zwier, Timothy S.; Walsh, Patrick S.; Kusaka, Ryoji; Sibert, Edwin
Subject(s):Clusters/Complexes
Abstract:The investigation of benzene-water clusters (Bz-(H$_2$O)$_n$) provides insight into the relative importance $pi$-hydrogen bond interactions in cluster formation. Taking advantage of the higher resolution of current IR sources, isomer-specific resonant ion-dip infrared (RIDIR) spectra were recorded in the OH stretch region (3000-3750 cm$^{-1}$). A local mode Hamiltonian for describing the OH stretch vibrations of water clusters is applied to Bz-(H$_2$O)$_6$ and Bz-(H$_2$O)$_7$ and compared with the RIDIR spectra. These clusters are the smallest water clusters in which three-dimensional H-bonded networks containing three-coordinate water molecules begin to be formed, and are therefore particularly susceptible to re-ordering or re-shaping in response to the presence of a benzene molecule. The spectrum of Bz-(H$_2$O)$_6$ is assigned to an inverted book structure while the major conformer of Bz-(H$_2$O)$_7$ is assigned to an $S_4$-derived inserted cubic structure in which the benzene occupies one corner of the cube. The local mode model is used to extract monomer Hamiltonians for individual water molecules, including stretch-bend Fermi resonance and intra-monomer couplings. The monomer Hamiltonians divide into sub-groups based on their local H-bonding architecture (DA, DDA, DAA) and the nature of their interaction with benzene.
Issue Date:24-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79171
Date Available in IDEALS:2016-01-05


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