Surface-enhanced Raman scattering and DFT computational studies of a cyanuric chloride derivative
文献类型：期刊论文
| 作者 | Liao, Qing; Li, Man-Yu; Hao, Rui; Ai, Xi-Cheng; Zhang, Jian-Ping; Wang, Yuan |
| 刊名 | VIBRATIONAL SPECTROSCOPY
 |
| 出版日期 | 2007-07-17 |
| 卷号 | 44期号:2页码:351-356 |
| 关键词 | Cyanuric Chloride Derivative Surface-enhanced Raman Scattering (Sers) Density Functional Theory (Dfr) |
| ISSN号 | 0924-2031 |
| DOI | 10.1016/j.vibspec.2007.03.001 |
| 英文摘要 | Cyanuric chloride derivatives have recently received increasing interests in chemical and biological applications. Knowledge on their molecular geometries and on their active molecular sites in the corresponding molecular complexes is important. We report the surface-enhanced Raman scattering (SERS) spectrum of 2-(4'-N,N-diethylamino)phenyl-4,6-dichloro-1,3,5-triazine (PDT), a cyanuric chloride derivative that is widely used as functional chromophore and as a starting/intermediate compound in organic synthesis. A full assignment of the Raman and the IR spectra has been made based on the scaled-DFT analyses of the normal vibrational modes. On the basis of the comparative studies on the ordinary Raman spectrum and the SERS spectrum of PDT, we propose that this molecule binds the Au atom, via the N atoms in the triazine and/or the N-14 atom in the C-15-N-14-C-17 moiety, with two anti-parallel orientations with a tilted geometry. (C) 2007 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000248604400019 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/62161]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, Jian-Ping |
| 作者单位 | 1.Renmin Univ China, Dept Chem, Beijing 100872, Peoples R China 2.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 3.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liao, Qing,Li, Man-Yu,Hao, Rui,et al. Surface-enhanced Raman scattering and DFT computational studies of a cyanuric chloride derivative[J]. VIBRATIONAL SPECTROSCOPY,2007,44(2):351-356. |
| APA | Liao, Qing,Li, Man-Yu,Hao, Rui,Ai, Xi-Cheng,Zhang, Jian-Ping,&Wang, Yuan.(2007).Surface-enhanced Raman scattering and DFT computational studies of a cyanuric chloride derivative.VIBRATIONAL SPECTROSCOPY,44(2),351-356. |
| MLA | Liao, Qing,et al."Surface-enhanced Raman scattering and DFT computational studies of a cyanuric chloride derivative".VIBRATIONAL SPECTROSCOPY 44.2(2007):351-356. |
入库方式： OAI收割
来源：化学研究所
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