Argon predissociation spectroscopy of the OH-•H2O and Cl-•H2O complexes in the 1000-1900 cm-1 region:: Intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate

被引:55
作者
Diken, EG
Headrick, JM
Roscioli, JR
Bopp, JC
Johnson, MA
McCoy, AB
Huang, XC
Carter, S
Bowman, JM
机构
[1] Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA
[2] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
[3] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
[4] Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA
关键词
D O I
10.1021/jp045612a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present argon predissociation vibrational spectra of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) energy range, far below the OH stretching region reported in previous studies. This extension allows us to explore the fundamental transitions of the intramolecular bending vibrations associated with the water molecule, as well as that of the shared proton inferred from previous assignments of overtones in the higher energy region. Although the water bending fundamental in the Cl-.H2O spectrum is in very good agreement with expectations, the OH-.H2O spectrum is quite different than anticipated, being dominated by a strong feature at 1090 cm(-1). New full-diniensionality calculations of the OH-.H2O vibrational level structure using diffusion Monte Carlo and the VSCF/CI methods indicate this band arises from excitation of the shared proton.
引用
收藏
页码:571 / 575
页数:5
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