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  Molecular mechanisms of photo-induced spectral diffusion of single terrylene molecules in p terphenyl

Bordat, P., & Brown, R. (2002). Molecular mechanisms of photo-induced spectral diffusion of single terrylene molecules in p terphenyl. Journal of Chemical Physics, 116(1), 229-236.

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 Creators:
Bordat, P.1, Author              
Brown, R., Author
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

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 Abstract: An empirical molecular model of crystals of p-terphenyl doped with terrylene is developed and compared with recent experiments on single guest molecules. The model provides an assignment of the experimental electronic origins to the substitution sites and an interpretation of the photo-induced frequency jumps of single terrylene molecules. The Stark shifts of terrylene in the different sites are estimated by a coupled Hartree-Fock semi-empirical calculation. The topology of the many-dimensional energy surface of the X-1 electronic origin is explored with simulated annealing. (C) 2002 American Institute of Physics.

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Language(s): eng - English
 Dates: 2002-01-01
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: No review
 Identifiers: eDoc: 28582
ISI: 000172784700027
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Title: Journal of Chemical Physics
  Alternative Title : J. Chem. Phys.
Source Genre: Journal
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Pages: - Volume / Issue: 116 (1) Sequence Number: - Start / End Page: 229 - 236 Identifier: ISSN: 0021-9606