Ryding Mauritz Johan, Fernández Israel, Uggerud Einar
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.
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.
