Abstract
Investigation of the valence state photoionization of water using vacuum ultraviolet and soft x-rays gives important information for spectroscopic analysis and studies of radiation loss and cell biology. In this article, the total and valence-shell photoionization cross sections of H2O and D2O, generating the states 2B1, 2A1 and 2B2, and their isotopic consequences are studied. The effect of bonding on valence state photoionization is also reported. The calculations were made using R-matrix theory for photon energies up to 40 eV. Electronic transitions below 20 eV were considered to account for the autoionizing Rydberg transitions. This is the first report to demonstrate the effect of bonding on valence state photoionization. For the isotopic partner (D2O), we observed a quantitative change in cross section. Comparisons are made with the previously available results and a reasonable agreement is found. The present study gives a comprehensive understanding of the photoionization of water, thus providing deep insight into different non-dissociative processes of the molecule in various environments.
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