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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20 Citations (Web of Science)


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
Issue number19
Publication statusPublished - 2005


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