Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds

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	Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds
	Beljonne, D ; Wenseleers, W ; Zojer, E ; Shuai, ZG ; Vogel, H ; Pond, SJK ; Perry, JW ; Marder, SR ; Bredas, JL
刊名	ADVANCED FUNCTIONAL MATERIALS
	2002-09-01
卷号	12 期号:9 页码:631-641
ISSN号	1616-301X
英文摘要	A comparative study of the two-photon absorption (TPA) properties of octupolar compounds and their dipolar one-dimensional counterparts is presented on the basis of correlated quantum-chemical calculations. The roles of dimensionality and symmetry are first discussed on the basis of a simple exciton picture where the ground-state and excited-state wavefunctions of three-arm octupolar systems are built from a linear combination of the corresponding single-arm wavefunctions. This model predicts a factor of 3 increase in the TPA cross section in the limiting case of three independent charge-transfer pathways. When taking into account the full chemical structures of representative octupolar molecules, the results of the calculations indicate that a much larger enhancement associated with an increase in dimensionality and delocalization can be achieved when the core of the chromophore allows significant electronic coupling among the individual arms. These theoretical predictions are in agreement with the experimental determination of the TPA cross sections for crystal violet and the related compound, brilliant green, and suggest new strategies for the design of conjugated materials with large TPA cross sections.
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000178295700011
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/79049]
专题	中国科学院化学研究所
通讯作者	Beljonne, D
作者单位	1.Univ Mons, Ctr Res Mol Elect & Photon, B-7000 Mons, Belgium 2.Univ Arizona, Dept Chem, Tucson, AZ 85721 USA 3.Graz Univ Technol, Inst Solid State Phys, Adv Mat Div, A-8010 Graz, Austria 4.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Beljonne, D,Wenseleers, W,Zojer, E,et al. Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds[J]. ADVANCED FUNCTIONAL MATERIALS,2002,12(9):631-641.
APA	Beljonne, D.,Wenseleers, W.,Zojer, E.,Shuai, ZG.,Vogel, H.,...&Bredas, JL.(2002).Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds.ADVANCED FUNCTIONAL MATERIALS,12(9),631-641.
MLA	Beljonne, D,et al."Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds".ADVANCED FUNCTIONAL MATERIALS 12.9(2002):631-641.