期刊
CHEMICAL PHYSICS
卷 397, 期 -, 页码 92-97出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2012.01.012
关键词
Charge-transfer excitons; CT transition dipoles; Oligothiophenes; Absorption spectra; Electroabsorption spectra
资金
- Polish national resources
- European Regional Development Fund [POIG.02.01.00-12-023/08]
Owing to the peculiar structure of oligothiophene crystals, their low-energy b-polarized spectra are dominated by the contributions from charge transfer states almost free from Frenkel state admixtures, offering 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 reproduction 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 crystals, providing a simple method to estimate the intrinsic transition dipoles of charge transfer configurations. (C) 2012 Elsevier B.V. All rights reserved.
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