Solvent Effects on the Optical Spectra and Excited-State Decay of Triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer
文献类型：期刊论文
| 作者 | Fan, Di1,2; Yi, Yuanping2; Li, Zhendong4; Liu, Wenjian4; Peng, Qian2; Shuai, Zhigang1,3 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2015-05-28 |
| 卷号 | 119期号:21页码:5233-5240 |
| 英文摘要 | The triphenylamine-thiadiazole molecule (TPA-NZP) is a newly popular, highly efficient OLED fluorescent emitter with exciton utilization efficiency exceeding the upper limit of spin statistics (25%). In this work, the optical spectra and the radiative and nonradiative decay rate constants have been investigated theoretically for TPA-NZP in hexane, ethyl ether, tetrahydrofuran, and dimethylformamide solvents, in comparison with the gas phase. We observed the evolutions of the excited states from the hybridized local and charge-transfer (HLCT) character to complete intramolecular charge transfer (CT) character with the increase of the solvent polarities. It is found that upon increasing the solvent polarity, the amount of red shift in the absorption peak is much less than that of emission, resulting in breakdown of the mirror symmetry. This is because that 0-0 transition energy is red-shifted but the vibrational relaxation increases with the solvent polarity, leading to subtraction in absorption while addition in emission. The radiative decay rate constant is calculated to be almost independent of polarity. The nonradiative decay rate increases by almost one order of magnitude from that in nonpolar hexane to the strongly polarized dimethylformamide, which is attributed to the dual effects of the red shift in the gap and enhancement of the vibrational relaxation by solvent polarity. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/28165]  |
| 专题 | 化学研究所_有机固体实验室 |
| 作者单位 | 1.Nanchang Univ, Coll Chem, Nanchang 330031, Peoples R China 2.Chinese Acad Sci, Inst Chem, BNLMS, Key Lab Organ Solids, Beijing 100190, Peoples R China 3.Tsinghua Univ, Dept Chem, Key Lab Organ OptoElect & Mol Engn, Beijing 100084, Peoples R China 4.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fan, Di,Yi, Yuanping,Li, Zhendong,et al. Solvent Effects on the Optical Spectra and Excited-State Decay of Triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2015,119(21):5233-5240. |
| APA | Fan, Di,Yi, Yuanping,Li, Zhendong,Liu, Wenjian,Peng, Qian,&Shuai, Zhigang.(2015).Solvent Effects on the Optical Spectra and Excited-State Decay of Triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer.JOURNAL OF PHYSICAL CHEMISTRY A,119(21),5233-5240. |
| MLA | Fan, Di,et al."Solvent Effects on the Optical Spectra and Excited-State Decay of Triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer".JOURNAL OF PHYSICAL CHEMISTRY A 119.21(2015):5233-5240. |
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来源：化学研究所
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