Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives
文献类型：期刊论文
| 作者 | Deng, Chunmei1,2; Niu, Yingli1; Peng, Qian1; Qin, Anjun3; Shuai, Zhigang1,4; Tang, Ben Zhong2,3 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2011-07-07 |
| 卷号 | 135期号:1 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.3606579 |
| 英文摘要 | Aggregation-induced emission (AIE) phenomenon has attracted much attention in recent years due to its potential applications in optoelectronic devices, fluorescence sensors, and biological probes. Restriction of intramolecular rotation has been proposed as the cause of this unusual phenomenon. Rational design of AIE luminogens requires quantitative descriptions of its mechanism. 2,3-dicyano-5,6-diphenylpyrazine (DCDPP) with "free" phenyl rings is an AIE active compound, whereas 2,3-dicyanopyrazino [5,6-9,10] phenanthrene (DCPP) with "locked" phenyl rings is not. Quantum chemistry calculations coupled with our thermal vibration correlation function formalism for the radiative and non-radiative decay rates reveal that the radiative decay rates for both DCPP and DCDPP are close to each other for all the temperatures, but the non-radiative decay processes are very different. For DCDPP, the low-frequency modes originated from the phenyl ring twisting motions are strongly coupled with the electronic excited state, which dissipate the electronic excitation energy through mode-mixing (Duschinsky rotation effect), and the non-radiative decay rate strongly increases with temperature. For DCPP, however, such mode-mixing effect is weak and the non-radiative decay rate is insensitive to temperature. These findings rationalize the fact that DCDPP is AIE active but DCPP is not, and are instructive to further development of AIE luminogens. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3606579] |
| 语种 | 英语 |
| WOS记录号 | WOS:000292524200018 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/71921]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Deng, Chunmei |
| 作者单位 | 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci BNLMS, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China 2.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China 3.Zhejiang Univ, Dept Polymer Sci & Engn, MoE Key Lab Macromol Synth & Functionalizat, Hangzhou 310027, Zhejiang, Peoples R China 4.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China |
| 推荐引用方式 GB/T 7714 | Deng, Chunmei,Niu, Yingli,Peng, Qian,et al. Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives[J]. JOURNAL OF CHEMICAL PHYSICS,2011,135(1). |
| APA | Deng, Chunmei,Niu, Yingli,Peng, Qian,Qin, Anjun,Shuai, Zhigang,&Tang, Ben Zhong.(2011).Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives.JOURNAL OF CHEMICAL PHYSICS,135(1). |
| MLA | Deng, Chunmei,et al."Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives".JOURNAL OF CHEMICAL PHYSICS 135.1(2011). |
入库方式： OAI收割
来源：化学研究所
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