Infrared Identification of Matrix Isolated H2O·O2

P.D. Cooper, H.G. Kjaergaard, V.S. Langford, Allan Mckinley, T.I. Quickenden, T.W. Robinson, D.P. Schofield

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Abstract

Theoretical studies of the (H2OO2)-O-. complex have been carried out over the past decade, but the complex has not previously been experimentally identified. We have assigned IR vibrations from an (H2OO2)-O-. complex in an inert rare gas matrix. This identification is based upon theoretical calculations and concentration dependent behavior of absorption bands observed upon codeposition of H2O and O-2 in argon matrixes at 11.5 ± 0.5 K. To aid assignment, we have used a harmonically coupled anharmonic oscillator local mode model with an ab initio calculated dipole moment function to calculate the OH-stretching and HOH-bending frequencies and intensities in the complex. The high abundance of H2O and O-2 makes the (H2OO2)-O-. complex likely to be significant in atmospheric and astrophysical chemistry.
Original languageEnglish
Pages (from-to)4274-4279
JournalJournal of Physical Chemistry A
Volume109
Issue number19
DOIs
Publication statusPublished - 2005

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Cooper, P. D., Kjaergaard, H. G., Langford, V. S., Mckinley, A., Quickenden, T. I., Robinson, T. W., & Schofield, D. P. (2005). Infrared Identification of Matrix Isolated H2O·O2. Journal of Physical Chemistry A, 109(19), 4274-4279. https://doi.org/10.1021/jp050040v