Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages

	Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages
	Yan, Linyin 1,2; Wan, Yan 1,2; Xia, Andong 1,2; Lin, Sheng Hien 3; Huang, Ran 4
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2016-02-07
卷号	18 期号:5 页码:4134-4143
英文摘要	A multi-leveled theoretical investigation combining TD-DFT (B3LYP and CAM-B3LYP) methods and a semi-empirical method was conducted to determine the structure-related spectral properties of T-series dendrimers composed of nearly hundreds of atoms, based on a proposed molecular model. Both one-and two-photon absorption spectra of the dendrimer molecules were well reproduced. The "antenna effect" in the dendrimers molecule was theoretically studied. The process of excitation energy localization from chromophores in the branches to the pyrene core before the fluorescence emission was visualized using contours of the charge different density (CDD) between the electronic states. Conclusions based on the theoretical model were drawn about the observed photophysical properties of T-series dendrimers as follows: (a) increasing the generation of a branch would enhance the absorption of photons with a wavelength below 430 nm; (b) enlarging the conjugation of branches would enhance the coupling among the chromophores and would lower the excitation energy; (c) the existence of inter-molecular coupling among the "antenna" chromophores in conjugated branches and the pyrene core would significantly promote two-photon absorption.
收录类别	SCI
语种	英语
公开日期	2016-05-03
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/30130]
专题	化学研究所_分子反应动力学实验室
作者单位	1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Inst Chem, BNLMS, Beijing 100190, Peoples R China 3.Natl Chiao Tung Univ, Dept Appl Chem, Hsinchu 30010, Taiwan 4.Shanghai Jiao Tong Univ, Sch Chem & Chem Engn, Shanghai 200240, Peoples R China
推荐引用方式 GB/T 7714	Yan, Linyin,Wan, Yan,Xia, Andong,et al. Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(5):4134-4143.
APA	Yan, Linyin,Wan, Yan,Xia, Andong,Lin, Sheng Hien,&Huang, Ran.(2016).Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(5),4134-4143.
MLA	Yan, Linyin,et al."Excited-state localization and energy transfer in pyrene core dendrimers with fluorene/carbazole as the dendrons and acetylene as the linkages".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.5(2016):4134-4143.