Efficient quenching of excited states can proceed through the deactivation of exciplexes at close-lying conical intersections (see picture). This novel quenching mechanism, a case of an “aborted” charge transfer, has been obtained by means of ab initio CASPT2 calculations for the fluorescence quenching of azoalkanes by amines, calculations which produce an excellent agreement with the experimental data.
Sinicropi, A., Pischel, U., Basosi, R., Nau, W.M., Olivucci, M. (2000). Conical Intersections in Charge-Transfer Induced Quenching. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 39(24), 4582-4586 [10.1002/1521-3773(20001215)39:24<4582::AID-ANIE4582>3.0.CO;2-4].
Conical Intersections in Charge-Transfer Induced Quenching
SINICROPI, ADALGISA;BASOSI, RICCARDO;OLIVUCCI, MASSIMO
2000-01-01
Abstract
Efficient quenching of excited states can proceed through the deactivation of exciplexes at close-lying conical intersections (see picture). This novel quenching mechanism, a case of an “aborted” charge transfer, has been obtained by means of ab initio CASPT2 calculations for the fluorescence quenching of azoalkanes by amines, calculations which produce an excellent agreement with the experimental data.File | Dimensione | Formato | |
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https://hdl.handle.net/11365/3810
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