Solvent effects on two-photon absorption of dialkylamino substituted distyrylbenzene chromophore
2007 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 126, no 20Article in journal (Refereed) Published
Solvent effects on the two-photon absorption of a symmetrical diamino substituted distyrylbenzene chromophore have been studied using the density functional response theory in combination with the polarizable continuum model. It is shown that the dielectric medium has a rather small effect both on the bond length alternation and on the one-photon absorption spectrum, but it affects significantly the two-photon absorption cross section. It is found that both one- and two-photon absorptions are extremely sensitive to the planarity of the molecule, and the absorption intensity can be dramatically reduced by the conformation distortion. It has led to the conclusion that the experimentally observed anomalous solvent effect on the two-photon absorption of dialkylamino substituted distyrylbenzene chromophores cannot be attributed to the intrinsic properties of a single molecule and its interaction with solvents.
Place, publisher, year, edition, pages
2007. Vol. 126, no 20
density-functional theory, polarizable continuum model, cross-sections, organic chromophores, electronic-structure, molecules, derivatives
IdentifiersURN: urn:nbn:se:kth:diva-13829DOI: 10.1063/1.2740641ISI: 000246891700037ScopusID: 2-s2.0-34249864511OAI: oai:DiVA.org:kth-13829DiVA: diva2:327653
QC 201006302010-06-302010-06-302010-11-22Bibliographically approved