Sergey V. Bondarchuk, Boris F. Minaev and Alexander Yu. Fesak Theoretical study of the triplet state aryl cations recombination: A possible route to unusually stable doubly charged biphenyl cations International Journal of Quantum Chemistry 113
The chemical reactivity of diamagnetic molecules is largely determined by the properties of their triplet excited states rather than their closed-shell ground singlet state. As an example of this type of “spin-catalysis,” the self-recombination reaction of the triplet state 4-aminophenyl cations leads to the formation of the benzidine dication. The corresponding transition state is “reactant-like” and located at the CipsoCipso interatomic distance of 4.0 Å.
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