Infrared measurements and calculations on H2O.HO

Paul D Cooper; Henrik G Kjaergaard; Vaughan S Langford; Allan J McKinley; Terence I Quickenden; Daniel P Schofield

doi:10.1021/ja034388k

Infrared measurements and calculations on H2O.HO

J Am Chem Soc. 2003 May 21;125(20):6048-9. doi: 10.1021/ja034388k.

Authors

Paul D Cooper¹, Henrik G Kjaergaard, Vaughan S Langford, Allan J McKinley, Terence I Quickenden, Daniel P Schofield

Affiliation

¹ Chemistry, M313, School of Biomedical and Chemical Sciences, The University of Western Australia, 35 Stirling Highway, Crawley, Australia.

PMID: 12785822
DOI: 10.1021/ja034388k

Abstract

We have measured the infrared spectrum of H2O.HO in argon matrices at 11.5 +/- 0.5 K. We have also calculated the vibrational frequencies and intensities of the H2O.HO complex. As a result of these measurements and calculations, we have assigned a previously unassigned absorption band at 3442.1 cm-1 to the OH stretch in the radical complexed to the water molecule. This absorption originates from a complex that is situated in a different site within the argon matrix to those absorptions already assigned to this vibration at 3452.2 and 3428.0 cm-1. We observe a decrease in intensity of the OH radical stretching vibration of the H2O.HO complex upon isotopic substitution of D for H that agrees well with our calculations.

Publication types

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

MeSH terms

Hydroxyl Radical / chemistry*
Models, Molecular
Spectrophotometry, Infrared / methods
Water / chemistry*

Substances

Water
Hydroxyl Radical