BORDAT, Patrice; BROWN, Ross

doi:10.1063/1.1420753

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BORDAT, Patrice
Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]

BROWN, Ross
Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
Centre de physique moléculaire optique et hertzienne [CPMOH]

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Journal of Chemical Physics. 2002, vol. 116, n° 1, p. 229-236

American Institute of Physics

Resumen en inglés

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 X1 electronic origin is explored with simulated annealing.< Leer menos

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Diffusion

Doping

Diffuse molecular spectra

Annealing

Experiment design

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

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