Chem. J. Chinese Universities ›› 2011, Vol. 32 ›› Issue (12): 2872.
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LI Kai1,2, HAN Jiao1, ZHANG Hou-Yu1*, ABRAMAVICIUS Darius1, ZHANG Han-Zhuang2*
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国家自然科学基金(批准号: 20603013, 21073077, 21173101, 10974071, 10774060)资助.
Abstract: The absorption and emission spectra of one-dimensional linear aggregates and two-dimensional herringbone aggregates were investigated via Frenkel exciton model. The introduction of the exciton delocalization length bridges a link between spectral lineshape fuctions of molecular aggregates and single molecule. The results show that the spectra of molecular aggregates are closely dependent on the molecular alignment. The red\|shift absorption in linear J aggregates and splitting of J and H bands in herringbone aggregates are analyzed. The simulated absorption and emission spectra are in consistent with experimental results.
Key words: Molecular aggregate, Absorption and emission spectrum, Frenkel exciton, Exciton delocalization length
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LI Kai, HAN Jiao, ZHANG Hou-Yu*, ABRAMAVICIUS Darius, ZHANG Han-Zhuang*. Simulations of Spectra of Molecular Aggregates[J]. Chem. J. Chinese Universities, 2011, 32(12): 2872.
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http://www.cjcu.jlu.edu.cn/EN/Y2011/V32/I12/2872