Physics
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confefb09n&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Physics
Theory
Scientific paper
Fulton and Gouterman proposed a theory for the modeling of vibronic spectra of bichromophores with a symmetry operation exchanging the individual monomers. This model has proven useful for computing absorbtion and emission spectra for the S1 ← S0 and S2 ← S0 electronic transitions of the dimer when there is coupling to the vibrational levels. We have extended the FG model to cases where the bichromophore lacks a symmetry operation. This new model will cover systems with asymmetries arising from the environment, conformation, or composition of the dimer. Application of this theory to the spectra of the asymmetric bichromophore d5-diphenylmethane (diphenylmethane with all of the aromatic hydrogens on one phenyl group replaced by deuterium atoms) will be presented and compared to high resolution laser-induced fluorescence (LIF) and single vibronic level fluorescence (SVLF) experimental spectra.
R. Fulton and M. Gouterman, J. Chem. Phys. 25, 1059-1071 (1961).
P. Ottiger, S. Leutwyler, and H. Köppel, J. Chem. Phys. 131, 204308 (2009).
Zwier, private communication
Nebgen B.
Slipchenko Lyudmila V.
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