Journal article

A combined experimental and computational investigation of the microscopic external heavy atom effect in van der Waals clusters.

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.

Publication status:: Published

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APA Style

Doyle, R., Da Campo, R., Taylor, P., & Mackenzie, S. (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), 835–840.

MLA Style

Doyle, R., et al. “A Combined Experimental and Computational Investigation of the Microscopic External Heavy Atom Effect in Van Der Waals Clusters.” Journal of Chemical Physics, vol. 121, no. 2, 2004, pp. 835–40.

Chicago Style

Doyle, R, R Da Campo, P Taylor, and S Mackenzie. 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): 835–40.
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Publisher copy:: 10.1063/1.1759313

Authors

+ Doyle, R More by this author

Role:: Author

+ Da Campo, R More by this author

Role:: Author

+ Taylor, P More by this author

Role:: Author

+ Mackenzie, S More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

Journal:: Journal of chemical physics More from this journal
Volume:: 121
Issue:: 2
Pages:: 835-840
Publication date:: 2004-07-01
DOI:: 10.1063/1.1759313
EISSN:: 1089-7690
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:58982
UUID:: uuid:5976eafd-9e96-497c-b05d-6e112a54702e
Local pid:: pubs:58982
Source identifiers:: 58982
Deposit date:: 2012-12-19

Terms of use

Copyright date:: 2004

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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