de.mpg.escidoc.pubman.appbase.FacesBean
English
 
Help Guide Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

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

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons47661

Bordat,  P.
MPI for Polymer Research, Max Planck Society;

Locator
There are no locators available
Fulltext (public)
There are no public fulltexts available
Supplementary Material (public)
There is no public supplementary material available
Citation

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.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-66B5-F
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.