The Journal of Physical Chemistry A · 2006 · 75 citations · 23 references
Natural SciencesChemistryPhysicsChemical KineticsMolecular PhysicsSpectroscopyCharge Transfer ReactionsFluorescence SpectroscopyOptical SpectroscopyPhotochemical KineticsPhotochemistryUltrafast OpticsCharge SeparationCharge Transfer DynamicsCharge-transfer TransitionsExperimental ValidationIntersystem CrossingPhotophysical MechanismsTriplet State LifetimesTriplet-state Dynamics
Femtosecond transient absorption spectroscopy was employed to determine quantitatively the ultrafast S1-T1 intersystem crossing in a 2-substituted 9,10-anthraquinone derivative (3), kisc = 2.5 x 10(12) s-1. Notwithstanding this rapid process, photoexcitation of dyad 1 is followed by competition between intersystem crossing and intramolecular charge separation, the latter leading to a short-lived (2 ps) singlet charge-transfer (CT) state. The local triplet state itself undergoes slower charge separation to populate a relatively long-lived (130 ns) triplet CT state. An earlier report about the formation of an extremely long-lived CT state (> 900 micros) in 1 was found to be erroneous and was related to the sacrificial photo-oxidation of the dimethylsulfoxide solvent used in that study. Finally, some important criteria have been formulated for future experimental validation of "unusually long-lived" CT states.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
Natural Sciences, Chemistry, Physics +17
Heinz Dürr · Synthesis · 1994 · 2K citations · Full text
Natural Sciences, Chemistry, Physics +14