Vertical proton affinities of CH2O and CH2OH+ in their ground singlet,excited triplet and ionized doublet states |
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| Authors: | Otto P. Strausz Cornelia Kozmutza Ede Kapuy Michael A. Robb Giannoula Theodorakopoulos Imre G. Csizmadia |
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| Affiliation: | (1) Department of Chemistry, University of Alberta, Edmonton, Canada;(2) Physics Institute, Technical University, Budapest, Hungary;(3) Queen Elizabeth College, London, England;(4) Department of Chemistry, University of Toronto, Toronto, Canada |
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| Abstract: | Vertical proton affinities were calculated with closed and open shell direct SCF-MO methods for the ground, excited triplet and ionized doublet states of CH2O and CH2OH+.The computed gas phase basicity of CH2O follows the order: CH2O(1A1) > CH2O*(3A1 or 3A2) > CH2O+(2B2 or 2B1). |
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| Keywords: | Proton affinities of CH2O and CH2OH+ |
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