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Issue 19, 2004
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Matrix isolation and quantum chemical studies on the H2O2–SO2 complex

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Abstract

Complexation and photochemical reactions of hydrogen peroxide and sulfur dioxide have been studied in solid Ar, Kr and Xe. Complexes between H2O2 and SO2 are characterized using Fourier transform infrared spectroscopy and ab initio calculations. In solid Ar, the H2O2–SO2 complex absorptions are found at wavenumbers of 3572.8, 3518.7, 3511.2, 3504.3, 1340.3, 1280.2 and 1149.9 cm−1. In Kr and Xe matrices, the bonded OH stretching frequencies deviate from the values in Ar, and we propose that the matrix surrounding influences the structure of the H2O2–SO2 complex. UV photolysis of the H2O2–SO2 was also studied in solid Ar, Kr and Xe. This photolysis produces mainly a complex between sulfur trioxide and water via in-cage reaction.

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Publication details

The article was received on 06 Jul 2004, accepted on 16 Aug 2004 and first published on 24 Aug 2004


Article type: Paper
DOI: 10.1039/B410223A
Citation: Phys. Chem. Chem. Phys., 2004,6, 4607-4613

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    Matrix isolation and quantum chemical studies on the H2O2–SO2 complex

    S. Pehkonen, J. Lundell, L. Khriachtchev, M. Pettersson and M. Räsänen, Phys. Chem. Chem. Phys., 2004, 6, 4607
    DOI: 10.1039/B410223A

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