IS THERE A HYDRIDE TRANSFER BETWEEN N2OH-HYDROCARBONS( AND SATURATED)

Various reaction mechanisms for the reaction between N2OH+ and CH4 hav e been explored theoretically at the MP2 6-31G* level. Also computed were the structure and thermodynamic state functions for several neutr al molecules, notably N2O, CH4 and C2H6 and ions (CH5+, C2H5+, C2H7+, N2OH+). These results were combined with a Fourier transform ion cyclo tron resonance study of the reactions of N2OH+ with CH4 or C2H6. Both studies suggest that the title hydride transfer, while thermodynamical ly favorable, is not kinetically preferred under thermal conditions in the gas phase.