Experimental and theoretical study of the atmospherically important O2-H2O complex

Jewel A G Gomes; John L Gossage; Harimadhav Balu; Mehmet Kesmez; Ferrel Bowen; Richard S Lumpkin; David L Cocke

doi:10.1016/j.saa.2004.10.042

Experimental and theoretical study of the atmospherically important O2-H2O complex

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Oct;61(13-14):3082-6. doi: 10.1016/j.saa.2004.10.042. Epub 2005 Jan 11.

Authors

Jewel A G Gomes¹, John L Gossage, Harimadhav Balu, Mehmet Kesmez, Ferrel Bowen, Richard S Lumpkin, David L Cocke

Affiliation

¹ Gill Chair of Chemistry and Chemical Engineering, Lamar University, P.O. Box 10022, Beaumont TX 77710, USA. gomesja@hal.lamar.edu

PMID: 16165056
DOI: 10.1016/j.saa.2004.10.042

Abstract

The theoretically predicted water-oxygen van der Waals adduct has been experimentally confirmed by vibrational characterization using matrix isolation spectroscopic studies at 10 K. Vibrational bands for asymmetric and symmetric OH-stretching for this adduct have been found at 3728 cm(-1) and 3639 cm(-1), respectively. Theoretical calculations performed with Gaussian 98 software at the MP2/6-311++G(2d,2p) level of theory support the alternative structure of the hydrated complex proposed by this study.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Atmosphere / chemistry*
Models, Chemical
Oxygen / chemistry*
Spectroscopy, Fourier Transform Infrared
Water / chemistry*

Substances

Water
Oxygen