Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters
文献类型：期刊论文
| 作者 | Ren, Xue-Feng1; Ren, Ai-Min1; Feng, Ji-Kang1; Zhou, Xin2 |
| 刊名 | organic electronics
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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