X-OH
2
+
(X = C, O) cations: Vibrational spectra, stability, and electron capture reactions |
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| Authors: | A I Panin A V Tulub |
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| Institution: | (1) Research Institute of Chemistry, St. Petersburg State University, Peterhof, St. Petersburg, 198904, Russia |
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| Abstract: | Calculations of the potential energy surfaces of X-OH 2 + cations (X = C, O) by the restricted and unrestricted Hartree-Fock methods (RHF, UHF) taking into account the correlation energy (MP-2) and by the CASSCF method are presented. All cations are found to be rather stable against X-O bond rupture and intermolecular rearrangement. The reaction of electron capture by these cations is studied. |
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