Photoinduced intramolecular charge transfer and S-2 fluorescence in thiophene-pi-conjugated donor-acceptor systems: Experimental and TDDFT studies
文献类型：期刊论文
| 作者 | Zhao, Guang-Jiu1; Chen, Rui-Kui2; Sun, Meng-Tao3; Liu, Jian-Yong1; Li, Guang-Yue1; Gao, Yun-Ling1; Han, Ke-Li1; Yang, Xi-Chuan2; Sun, Licheng2,4 |
| 刊名 | chemistry-a european journal
 |
| 出版日期 | 2008 |
| 卷号 | 14期号:23页码:6935-6947 |
| 关键词 | charge transfer density functional calculations donor-acceptor systems fluorescence nonlinear optics |
| 英文摘要 | experimental and theoretical methods were used to study newly synthesized thiophene-pi-cojugated donor-acceptor compounds, which were found to exhibit efficient intramolecular charge-transfer emission in polar solvents with relatively large stokes shifts and strong solvatochromism. to gain insight into the solvatochromic behavior of these compounds, the dependence of the spectra on solvent polarity was studied on the basis of lippert-mataga models. we found that intramolecular charge transfer in these donor-acceptor systems is significantly dependent on the electron-with-drawing substituents at the thienyl 2-position. the dependence of the absorption and emission spectra of these compounds in methanol on the concentration of trifluoroacetic acid was used to confirm intramolecular charge-tranfer emission. moreover, the calculated absorption and emission energies, which are in accordance with the experimental values, suggested that fluorescence can be emitted from different geometric confirmations. in addition, a novel s-2 fluorescence phenomenon for some of these compounds was also be observed. the fluorescence excitation spectra were used to confirm the s-2 fluorescence. we demonstrate that s-2 fluorescence can be explained by the calculated energy gap between the s-2 and s-1 states of these molecules. furthermore, nonlinear optical behavior of the thiophene-pi-conjugated compound with diethylcyanomethylphosphonate substituents was predicted in theory. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, multidisciplinary |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | dynamic kinetic resolution ; u-shaped tetrad ; electron-transfer ; photophysical properties ; energy-transfer ; excited-states ; transfer mechanism ; ab-initio ; molecules ; bond |
| 收录类别 | SCI ; IC |
| 语种 | 英语 |
| WOS记录号 | WOS:000258683600014 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141053]  |
| 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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116012, Peoples R China 3.Chinese Acad Sci, Natl Lab Condensed State Matter Phys, Inst Phys, Beijing 100080, Peoples R China 4.Royal Inst Technol, KTH Chem, S-10044 Stockholm, Sweden |
| 推荐引用方式 GB/T 7714 | Zhao, Guang-Jiu,Chen, Rui-Kui,Sun, Meng-Tao,et al. Photoinduced intramolecular charge transfer and S-2 fluorescence in thiophene-pi-conjugated donor-acceptor systems: Experimental and TDDFT studies[J]. chemistry-a european journal,2008,14(23):6935-6947. |
| APA | Zhao, Guang-Jiu.,Chen, Rui-Kui.,Sun, Meng-Tao.,Liu, Jian-Yong.,Li, Guang-Yue.,...&Sun, Licheng.(2008).Photoinduced intramolecular charge transfer and S-2 fluorescence in thiophene-pi-conjugated donor-acceptor systems: Experimental and TDDFT studies.chemistry-a european journal,14(23),6935-6947. |
| MLA | Zhao, Guang-Jiu,et al."Photoinduced intramolecular charge transfer and S-2 fluorescence in thiophene-pi-conjugated donor-acceptor systems: Experimental and TDDFT studies".chemistry-a european journal 14.23(2008):6935-6947. |
入库方式： OAI收割
来源：大连化学物理研究所
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