Metal-benzene and metal-CO bond energies in neutral and ionic C6H6Cr(CO)3 studied by threshold photoelectron-photoion coincidence spectroscopy and density functional theory.
photoelectron-photoion coincidence spectroscopy and density functional theory calculations have been used to investigate the dissociation kinetics of the benzene chromium tricarbonyl ion, BzCr(CO)3+ (Bz = C6H6). The dissociation of the BzCr(CO)3+ ion proceeds by the sequential loss of three CO and benzene ligands. The first and third CO and the benzene loss reactions were associated with metastable precursor ions (lifetimes in the microsecond range). By simulating the resulting asymmetric tim...Expand abstract
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