Intersystem crossing processes in nonplanar aromatic heterocyclic molecules
文献类型：期刊论文
| 作者 | Schmidt, Karin1,2; Brovelli, Sergio3,4; Coropceanu, Veaceslav1,2; Beljonne, David1,2,5; Cornil, Jerome1,2,5; Bazzini, Cristina6; Caronna, Tullio6; Tubino, Riccardo3,4; Meinardi, Francesco3,4; Shuai, Zhigang7 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2007-10-25 |
| 卷号 | 111期号:42页码:10490-10499 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp075248q |
| 英文摘要 | A comprehensive study of the photophysical properties of a series of monoaza[5]helicenes is presented on the basis of joint optical spectroscopy and quantum chemistry investigations. The molecules have been characterized by absorption and CW/time-resolved luminescence measurements. All quantities related to spin-orbit-coupling processes; such as intersystem crossing rates and radiative phosphorescence lifetimes, were found to depend strongly on the nitrogen position within the carbon backbone. Density functional theory and semiempirical quantum-chemical methods were used to evaluate the molecular geometries, the characteristics of the excited singlet and triplet states, and the spin-orbit coupling matrix elements. We demonstrate that the magnitude of spin-orbit coupling is directly con-elated with the degree of deviation from planarity. The trends from the calculated photophysical quantities, namely, radiative fluorescence and phosphorescence decay rates and intersystem crossing rates, of the mono-aza-helicenes are fully consistent with experiment. |
| 语种 | 英语 |
| WOS记录号 | WOS:000251947900008 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60931]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Schmidt, Karin |
| 作者单位 | 1.Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA 2.Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA 3.Univ Milan, CNISM, I-20125 Milan, Italy 4.Univ Milan, Dipartimento Sci Mat, I-20125 Milan, Italy 5.Univ Mons, Serv Chim Mat Nouveaux, Ctr Rech Elect & Photon Mol, B-7000 Mons, Belgium 6.Univ Bergamo, Fac Ingn, Dipartimento Chim Ind, I-24044 Dalmine, BG, Italy 7.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Schmidt, Karin,Brovelli, Sergio,Coropceanu, Veaceslav,et al. Intersystem crossing processes in nonplanar aromatic heterocyclic molecules[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2007,111(42):10490-10499. |
| APA | Schmidt, Karin.,Brovelli, Sergio.,Coropceanu, Veaceslav.,Beljonne, David.,Cornil, Jerome.,...&Bredas, Jean-Luc.(2007).Intersystem crossing processes in nonplanar aromatic heterocyclic molecules.JOURNAL OF PHYSICAL CHEMISTRY A,111(42),10490-10499. |
| MLA | Schmidt, Karin,et al."Intersystem crossing processes in nonplanar aromatic heterocyclic molecules".JOURNAL OF PHYSICAL CHEMISTRY A 111.42(2007):10490-10499. |
入库方式： OAI收割
来源：化学研究所
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