DYNAMICS OF CARBONIUM-IONS SOLVATED BY MOLECULAR-HYDROGEN - CH5-2)(N)(N=1, 2, 3)((H)

The dynamics of the carbonium ion (CH5+), a highly reactive intermedia te with no equilibrium structure, was studied by measuring the infrare d spectra for internally cold CH5+(H-2)(n) (n = 1,2,3) stored in an io n trap. First-principle molecular dynamics methods were used to direct ly simulate the internal motion for these ionic complexes. The combine d experimental and theoretical efforts substantiated the anticipated s crambling motion in the CH5+ core and revealed the effect of the solve nt molecular hydrogen in slowing down the scrambling. The results indi cate the feasibility of using solvent molecules to stabilize the flopp y CH5+ ion in order to make it amenable to spectroscopic study.