Through-bond and through-space coupling in photoinduced electron and energy transfer: An ab initio and semiempirical study

Andrew H.A. Clayton, Gregory D. Scholes, Kenneth P. Ghiggino, Michael N. Paddon-Row

Research output: Contribution to journalArticle

79 Scopus citations

Abstract

Ab initio and semiempirical calculations of transfer integrals for electron transfer and energy transfer have been carried out on rigidly linked norbornane-bridged naphthalene dimers to gain insight into the relative importance of through-bond and through-space interactions on photoinduced energy and electron transfer processes. In the absence of direct through-space orbital overlap between the naphthalene moieties, through-bond interaction involving the linking polynorbornane bridge is found to significantly enhance the transfer integrals for electron transfer and triplet-triplet energy transfer. For singlet-singlet energy transfer direct through-space Coulombic interaction between the naphthalene moieties is non-negligible at the separations considered and acts to reinforce the through-bond interaction. The relationship between electron and energy transfer processes and the application of these results to the interpretation of recent experimental data are discussed.

Original languageEnglish (US)
Pages (from-to)10912-10918
Number of pages7
JournalJournal of physical chemistry
Volume100
Issue number26
DOIs
StatePublished - Jun 27 1996
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

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