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A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters
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UNSPECIFIED. (2004) A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters. JOURNAL OF CHEMICAL PHYSICS, 121 (2). pp. 835-840. ISSN 0021-9606
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Official URL: http://dx.doi.org/10.1063/1.1759313
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 S-1 fluorescence lifetime compared with that of the pDFB monomer, an effect we interpret in terms of an enhancement of the S-1-T-1 intersystem crossing rate. In order to test the validity of this widely held assumption, we have calculated the S-1-T-1 spin-orbit coupling matrix elements in the X-pDFB complexes (X=Ne,Ar,Kr) using a multiconfigurational linear response approach. (C) 2004 American Institute of Physics.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Journal or Publication Title: | JOURNAL OF CHEMICAL PHYSICS |
| Publisher: | AMER INST PHYSICS |
| ISSN: | 0021-9606 |
| Date: | 8 July 2004 |
| Volume: | 121 |
| Number: | 2 |
| Number of Pages: | 6 |
| Page Range: | pp. 835-840 |
| Identification Number: | 10.1063/1.1759313 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/8267 |
Data sourced from Thomson Reuters' Web of Knowledge
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