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A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters.
- Source :
-
Journal of Chemical Physics . 7/8/2004, Vol. 121 Issue 2, p835-840. 6p. 5 Charts, 4 Graphs. - Publication Year :
- 2004
-
Abstract
- We present a combined experimental and computational study of the external heavy atom effect in van der Waals clusters of para-difluorobenzene (pDFB) with rare-gas atoms. Experimentally, clustering with rare-gas atoms is observed to shorten significantly the S1 fluorescence lifetime compared with that of the pDFB monomer, an effect we interpret in terms of an enhancement of the S1-T1 intersystem crossing rate. In order to test the validity of this widely held assumption, we have calculated the S1-T1 spin–orbit coupling matrix elements in the X-pDFB complexes (X=Ne,Ar,Kr) using a multiconfigurational linear response approach. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MICROCLUSTERS
*QUASIMOLECULES
*NOBLE gases
*FLUORESCENCE
*BENZENE
*MONOMERS
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 121
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 13804004
- Full Text :
- https://doi.org/10.1063/1.1759313