Conical Intersections and the Mechanism of Singlet Photoreactions

Conical Intersections and the Mechanism of Singlet Photoreactions

In contrast to the previously accepted theoretical model, the reaction funnel of a nonadiabatic photoreaction, which has similar significance as the transition state of a thermal reaction, is a real conical intersection (CI) at geometries of low symmetry. This is shown schematically on the right.

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Veröffentlicht in:Angewandte Chemie International Edition 1995-03, Vol.34 (5), p.549-551
1. Verfasser: Klessinger, Martin
Format: Artikel
Sprache:eng
Schlagworte:
ab initio calculations
conical intersection
diradicaloid
pericyclic reactions
photochemistry
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Beschreibung
Zusammenfassung:In contrast to the previously accepted theoretical model, the reaction funnel of a nonadiabatic photoreaction, which has similar significance as the transition state of a thermal reaction, is a real conical intersection (CI) at geometries of low symmetry. This is shown schematically on the right.
ISSN:0570-0833
1521-3773
DOI:10.1002/anie.199505491