Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters

	Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters
	Ren, Xue-Feng 1; Ren, Ai-Min 1; Feng, Ji-Kang 1; Zhou, Xin 2
刊名	organic electronics
	2010-06-01
卷号	11 期号:6 页码:979-989
关键词	Through-bond energy transfer Ionization potentials Electron affinity Reorganization energy Exciton binding energy
英文摘要	density functional theory (dft) calculations have been carried out on the electronic structures, electronic spectra, carrier injection and transport properties of a series of porphyrin derivatives, 5,15-di(r) porphyrin, 5,10,15,20-tetra(r) porphyrin, and zn-5,10,15,20-tetra(r)porphyrin, namely, dcp, tcp, and zcp (where r = carbazole); dmp, tmp, and zmp (where r = n,n-dimethyl-phenyl); dqp, tqp, and zqp (where r = 2,3,6,7-tetrahydro-1h,5h-benzo[ij]puinolizine). the through-bond (tb) energy transfer process in these porphyrin derivatives has been verified by three aspects of characters, i.e. electronic structures, dexter-type and forster-type energy transfer. moreover, the reasons for their high efficiency as red emitting materials have been revealed by the investigations of the ionization potential (ip), electron affinity (ea), reorganization energy (lambda), and exciton binding energy (e(b)). these structure-property relationships provide a valuable guide for the design and synthesis of highly efficient red light-emitting materials based on porphyrin derivatives. (c) 2010 elsevier b.v. all rights reserved.
WOS标题词	science & technology ; technology ; physical sciences
类目[WOS]	materials science, multidisciplinary ; physics, applied
研究领域[WOS]	materials science ; physics
关键词[WOS]	light-emitting-diodes ; organic electroluminescent devices ; free-base porphyrin ; transfer cassettes ; excited-states ; red ; blue ; carbazole ; complexes ; emission
收录类别	SCI
语种	英语
WOS记录号	WOS:000277935200002
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/141784]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Jilin Univ, State Key Lab Theoret & Computat Chem, Inst Theoret Chem, Changchun 130023, Peoples R China 2.Chinese Acad Sci, State Key Lab Catalysis, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Ren, Xue-Feng,Ren, Ai-Min,Feng, Ji-Kang,et al. Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters[J]. organic electronics,2010,11(6):979-989.
APA	Ren, Xue-Feng,Ren, Ai-Min,Feng, Ji-Kang,&Zhou, Xin.(2010).Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters.organic electronics,11(6),979-989.
MLA	Ren, Xue-Feng,et al."Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters".organic electronics 11.6(2010):979-989.