Reactions between microhydrated superoxide anions and formic acid.
作者信息
Ryding Mauritz Johan, Fernández Israel, Uggerud Einar
机构信息
Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, NO-0315 Oslo, Norway.
Departamento de Química Orgánica I and Centro de Innovación en Química Avanzada (ORFEO-CINQA), Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain.
出版信息
Phys Chem Chem Phys. 2017 Aug 30;19(34):23176-23186. doi: 10.1039/c7cp03820h.
Reactions between water clusters containing the superoxide anion, O˙(HO) (n = 0-4), and formic acid, HCOH, were studied experimentally in vacuo and modelled using quantum chemical methods. Encounters between microhydrated superoxide and formic acid were found to result in a number of different reactions, including (a) proton transfer, (b) ligand exchange, (c) H-elimination (affording microhydrated CO˙), and (d) dihydrogen transfer (affording HO and microhydrated CO˙). The effect of reactant-ion hydration on reaction rates was investigated and the involved reaction mechanisms were elucidated.
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