Band shape analysis of vibronic spectra of flexible molecules in solution

Authors
Kukielski, JI Sienkiewicz, JE
Citation
Ji. Kukielski et Je. Sienkiewicz, Band shape analysis of vibronic spectra of flexible molecules in solution, MOL SIMULAT, 26(2), 2001, pp. 157-165
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR SIMULATION
ISSN journal
08927022 → ACNP
Volume
26
Issue
2
Year of publication
2001
Pages
157 - 165
Database
ISI
SICI code
0892-7022(2001)26:2<157:BSAOVS>2.0.ZU;2-X
Abstract
The absorption and emission spectra of biphenyl in cyclohexane are measured . Calculated Franck-Condon overlap integrals are used to simulate measured absorption and emission spectra of biphenyl in cyclohexane. The vibronic th eory with the Born-Oppenheimer and Condon approximation is used.