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INFRARED SPECTROSCOPY OF LARGER BENZENE-(H$2O) n$ HYDROGEN-BONDED CLUSTERS: EVIDENCE OF CUBIC STRUCTURES

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/14126

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Title: INFRARED SPECTROSCOPY OF LARGER BENZENE-(H$2O) n$ HYDROGEN-BONDED CLUSTERS: EVIDENCE OF CUBIC STRUCTURES
Creators: Gruenloh, C. J.; Arrington, C. A.; Carney, Joel; Hagemeister, F. C.; Zwier, Timothy S.; Fredericks, S. Y.; Jordan, K. D.
Issue Date: 1997
Abstract: One color R2PI-TOFMS, ultraviolet hole-burning, and RIDIRS have been used lo assign and characterize (he hydrogen-bonding topology of size-selected benzene-$(H_{2}O)_{n}$ dusters formed in a supertonic molecular beam. Hole-burning spectroscopy confirms the presence of conformers in the increasingly congested R2PI spectra of these larger clusters. Two transitions in the benzene-$(H_{2}O)_{6}^{+}$ R2PI-TOFMS are assigned to the benzene-$(H_{2}O)_{8}$ cluster. Comparison of the experimental RIDIR spectra to density functional theory calculation results in the assignment of these conformer to cubic octamers of $S_{4}$ and $D_{2d}$ symmetry. The presence of benzene weakly distorts the cubic structures, breaking the degeneracy of several OH stretch vibrations and inducing intensity in otherwise forbidden infrared transitions. Four transitions in the benzene-$(H_{2}O)^{+}_{7}$ R2PI-TOFMS are tentatively assigned as two conformers each of the $(benzene)_{2}-(H_{2}O)_{8}$ benzene-$(H_{2}O)_{9}$ clusters. The RIDIRS of these species share common features with those of the cubic benzene-$(H_{2}O)_{8}$ octamers; thus, a structure for the benzene-water nonamer built by adding one water molecule to a cubic octamer is tested against calculations.
URI: http://hdl.handle.net/1811/14126
Other Identifiers: 1997-TI-14
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