Competition of proton and electron transfers in gas-phase reactions of hydrogen-containing dications CHX2+ (X = F, Cl, Br, I) with atoms, nonpolar and polar molecules

Chemistry. 2006 Mar 8;12(9):2465-71. doi: 10.1002/chem.200500888.

Abstract

The competition between proton and electron transfer in reactions of mass-selected dications CHX2+ (X = F, Cl, Br, and I) with rare gas atoms (Ne, Ar, Kr, and Xe) and selected molecular reagents (N2, O2, CO, H2O, and HCl) is studied in the gas phase. In the ion-molecule reactions of CHX2+ dications with atoms and nonpolar molecules, it is the energy balance of electron transfer that acts as the decisive factor: when the exothermicity of electron transfer exceeds 2 eV, this process predominates at the expense of bond-forming proton transfer. In marked contrast, the reactions between these triatomic dications and polar molecules are governed for the benefit of the thermochemically more favored products resulting from proton transfer.