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• W1976561630 abstract "The matrix elements for T1(ππ*) →S0 radiationless transitions in aromatic molecules with nonbonding electrons are examined within the framework of pure spin adiabatic Born–Oppenheimer basis set, in order to deduce the relative importance of various ’’mechanisms’’ of the intersystem crossing. It is concluded that, unless forbidden by symmetry, the mechanisms involving vibronic coupling in the triplet manifold are much more important than those involving vibronic coupling in the singlet manifold. Unlike in aromatic hydrocarbons, the mechanisms induced by nonadiabatic coupling can be competitive when compared to those induced by adiabatic coupling. The experimental data are compared with qualitative theoretical predictions for a number of nitrogen heterocyclic and aromatic carbonyl compounds." @default.
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• W1976561630 date "1976-11-15" @default.
• W1976561630 modified "2023-10-18" @default.
• W1976561630 title "T1(ππ*) →S0 radiationless transitions in aromatic molecules with nonbonding electrons" @default.
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• W1976561630 doi "https://doi.org/10.1063/1.432858" @default.
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