Literature DB >> 16833381

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.

Eric G Diken1, Jeffrey M Headrick, Joseph R Roscioli, Joseph C Bopp, Mark A Johnson, Anne B McCoy, Xinchuan Huang, Stuart Carter, Joel M Bowman.   

Abstract

We present argon predissociation vibrational spectra of the OH(-).H(2)O and Cl(-).H(2)O 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(-).H(2)O spectrum is in very good agreement with expectations, the OH(-).H(2)O spectrum is quite different than anticipated, being dominated by a strong feature at 1090 cm(-1). New full-dimensionality calculations of the OH(-).H(2)O vibrational level structure using diffusion Monte Carlo and the VSCF/CI methods indicate this band arises from excitation of the shared proton.

Entities:  

Year:  2005        PMID: 16833381     DOI: 10.1021/jp045612a

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  2 in total

1.  Prediction of accurate anharmonic experimental vibrational frequencies for water clusters, (H2O)n, n=2-5.

Authors:  Meghan E Dunn; Timothy M Evans; Karl N Kirschner; George C Shields
Journal:  J Phys Chem A       Date:  2006-01-12       Impact factor: 2.781

2.  Infrared spectroscopy of O˙- and OH- in water clusters: evidence for fast interconversion between O˙- and OH˙OH.

Authors:  Jozef Lengyel; Milan Ončák; Andreas Herburger; Christian van der Linde; Martin K Beyer
Journal:  Phys Chem Chem Phys       Date:  2017-09-27       Impact factor: 3.676

  2 in total

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