The fluorescence lifetime of the radical cation of N,N,N′,N′- tetramethyl-p-phenylenediamine (Wurster's blue) decreases from 260 ps at 82 K to 200 fs at room temperature. Calculations indicate a small barrier between the excited-state minimum (D1 min) and a conical intersection (CI) of the excited and ground state potentials. The intersection is reached within 200 fs upon torsion of one of the C-N bonds. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Grilj, J., Laricheva, E.N., Olivucci, M., Vauthey, E. (2011). Fluorescence of Radical Ions in Liquid Solution: Wurster's Blue as a Case Study. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 50(19), 4496-4498 [10.1002/anie.201100015].
Fluorescence of Radical Ions in Liquid Solution: Wurster's Blue as a Case Study
Olivucci, Massimo;
2011-01-01
Abstract
The fluorescence lifetime of the radical cation of N,N,N′,N′- tetramethyl-p-phenylenediamine (Wurster's blue) decreases from 260 ps at 82 K to 200 fs at room temperature. Calculations indicate a small barrier between the excited-state minimum (D1 min) and a conical intersection (CI) of the excited and ground state potentials. The intersection is reached within 200 fs upon torsion of one of the C-N bonds. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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https://hdl.handle.net/11365/17672
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