Repozytorium Uniwersytetu Jagiellońskiego

Transition dipole moments of charge transfer excitations in one-component molecular crystals

Transition dipole moments of charge transfer excitations ...

Metadane (Dublin Core)

dc.contributor.author Mazur, Grzegorz [SAP11017717] pl
dc.contributor.author Petelenz, Piotr [SAP11007947] pl
dc.contributor.author Sławik, Michał pl
dc.date.accessioned 2015-02-26T10:00:45Z
dc.date.available 2015-02-26T10:00:45Z
dc.date.issued 2012 pl
dc.identifier.issn 0301-0104 pl
dc.identifier.uri http://ruj.uj.edu.pl/xmlui/handle/item/3348
dc.language eng pl
dc.title Transition dipole moments of charge transfer excitations in one-component molecular crystals pl
dc.type JournalArticle pl
dc.description.physical 92-97 pl
dc.abstract.en Owing to the peculiar structure of oligothiophene crystals, their low-energy b -polarized spectra are dom- inated by the contributions from charge transfer states almost free from Frenkel state admixtures, offer- ing a unique opportunity for in-depth studies of the former. Here, a simple model, rooted in the Mulliken theory of charge transfer transitions, is proposed to estimate the relevant transition dipole moments. For sexithiophene, the resultant estimate agrees with the value used in the recent detailed theoretical repro- duction of the absorption and electroabsorption spectra, and is found to be consistent with other input parameters. The approach presented here is readily applicable for other one-component molecular crys- tals, providing a simple method to estimate the intrinsic transition dipoles of charge transfer configurations pl
dc.subject.en charge-transfer excitons pl
dc.subject.en electroabsorption spectra pl
dc.subject.en CT transition dipoles pl
dc.subject.en oligothiophene pl
dc.subject.en absorption spectra pl
dc.description.volume 397 pl
dc.description.points 25 pl
dc.identifier.doi 10.1016/j.chemphys.2012.01.012 pl
dc.identifier.eissn 1873-4421 pl
dc.title.journal Chemical Physics pl
dc.language.container eng pl
dc.affiliation Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego pl
dc.affiliation Wydział Chemii : Zakład Metod Obliczeniowych Chemii pl
dc.subtype Article pl
.pointsMNiSW [2012 A]: 25


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