Microwave-assisted solvent-free synthesis of some dimethine cyanine dyes, spectral properties and TD-DFT/PCM calculations
文献类型：期刊论文
| 作者 | Zhang, Xiang-Han1; Wang, Lan-Ying1; Zhai, Gao-Hong1; Wen, Zhen-Yi2; Zhang, Zu-Xun1 |
| 刊名 | BULLETIN OF THE KOREAN CHEMICAL SOCIETY
 |
| 出版日期 | 2007-12-20 |
| 卷号 | 28页码:2382-2388 |
| 关键词 | dimethine cyanine dye microwave irradiation UV-Vis spectrum TD-DFF/PCM |
| ISSN号 | 0253-2964 |
| 英文摘要 | A series of dimethine cyanine dyes were synthesized in a fast, efficient and high yield by the condensation of quaternary salts with 1H-indole-3-carbaldehyde in the presence of piperidine under solvent-free microwave irradiation. The products were identified by H-1 NMR, IR, UV-Vis spectra and elemental analysis. The absorption and fluorescence properties of these dyes were investigated both experimentally and theoretically. Calculations performed at a combination of time-dependent density functional theory (TD-DFT) and the polarizable continuum model (PCM) reproduced the pi-pi* type absorption bands of the dyes. Regression analysis was used for studying theoretical results of the absorption maxima in different solvents. Compared with experimental counterparts, estimated overall uncertainties in the absorption maxima were about +/- 2%. |
| WOS关键词 | IONS ; CELL ; DFT ; DNA |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000252629100040 |
| 出版者 | KOREAN CHEMICAL SOC |
| 源URL | [http://119.78.100.186/handle/113462/46642]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Wang, Lan-Ying |
| 作者单位 | 1.NW Univ Xian, Dept Chem, Xian 710069, Peoples R China 2.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Xiang-Han,Wang, Lan-Ying,Zhai, Gao-Hong,et al. Microwave-assisted solvent-free synthesis of some dimethine cyanine dyes, spectral properties and TD-DFT/PCM calculations[J]. BULLETIN OF THE KOREAN CHEMICAL SOCIETY,2007,28:2382-2388. |
| APA | Zhang, Xiang-Han,Wang, Lan-Ying,Zhai, Gao-Hong,Wen, Zhen-Yi,&Zhang, Zu-Xun.(2007).Microwave-assisted solvent-free synthesis of some dimethine cyanine dyes, spectral properties and TD-DFT/PCM calculations.BULLETIN OF THE KOREAN CHEMICAL SOCIETY,28,2382-2388. |
| MLA | Zhang, Xiang-Han,et al."Microwave-assisted solvent-free synthesis of some dimethine cyanine dyes, spectral properties and TD-DFT/PCM calculations".BULLETIN OF THE KOREAN CHEMICAL SOCIETY 28(2007):2382-2388. |
入库方式： OAI收割
来源：近代物理研究所
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