• Medientyp: E-Artikel
  • Titel: A combined theoretical treatment of T1→S intersystem crossing and intramolecular vibrational redistribution in thiophosgene
  • Beteiligte: Rashev, Svetoslav; Moule, David C.
  • Erschienen: AIP Publishing, 2008
  • Erschienen in: The Journal of Chemical Physics, 128 (2008) 9
  • Sprache: Englisch
  • DOI: 10.1063/1.2888172
  • ISSN: 0021-9606; 1089-7690
  • Schlagwörter: Physical and Theoretical Chemistry ; General Physics and Astronomy
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  • Beschreibung: We combine our two recent theoretical approaches for electronic relaxation T1→S0 and vibrational relaxation processes in thiophosgene (SCCl2) to provide a more detailed picture of the intersystem crossing (ISC) and phosphorescence from the first triplet T1. Our analysis shows that ISC is not a true irreversible decay and should lead to violent phosphorescence quantum beats that could be observed experimentally.