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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 |
| Institution: | (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 |
| 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(1 A 1) > CH2O*(3 A 1 or 3 A 2) > CH2O+(2 B 2 or 2 B 1). |
| Keywords: | Proton affinities of CH2O and CH2OH+ |
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