Vibronic coupling in the ground and excited states of oligoacene cations
2006 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, Vol. 110, no 38, 18904-18911 p.Article in journal (Refereed) Published
The vibrational coupling in the ground and excited states of positively charged naphthalene, anthracene, tetracene, and pentacene molecules is studied on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. Our theoretical and experimental results reveal that, while the main contribution to relaxation energy in the ground state of oligoacene systems comes from high-energy vibrations, the excited-state relaxation energies show a significant redistribution toward lower-frequency vibrations. A direct correlation is found between the nature of the vibronic interaction and the pattern of the electronic state structure. © 2006 American Chemical Society.
Place, publisher, year, edition, pages
2006. Vol. 110, no 38, 18904-18911 p.
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-50124DOI: 10.1021/jp057462pOAI: oai:DiVA.org:liu-50124DiVA: diva2:271020