Synthesis, Structures and Quantum Chemistry Study on the Multidentate Ligands of Pyrazole
文献类型：期刊论文
| 作者 | Wang, JZ ; Wang, XY ; Zhang, CS ; Sun, MT ; Xing, YH |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2011 |
| 卷号 | 69期号:15页码:1833 |
| ISSN号 | 0567-7351 |
| 关键词 | BIS(PYRAZOLYL)METHANE LIGANDS SUPRAMOLECULAR STRUCTURES SILVER(I) COMPLEXES GEOMETRY CENTERS |
| 通讯作者 | Wang, JZ (reprint author), Liaoning Normal Univ, Coll Chem & Chem Engn, Dalian 116029, Peoples R China. |
| 中文摘要 | Three kinds of bis(pyrazol-1-yl)alkane derivatives were synthesized by the reaction of tetrabromoethane, pyrazole and 4-iodo-1H-pyrazole in the KOH-DMSO system: 1,1,2,2-tetra(1H-pyrazol-1-yl)ethane (1), 1,1,2,2-tetrakis(4-nitro-1H-pyrazol-1-yl)ethane (2), 1,1,2,2-tetrakis(4-iodo-1H-pyrazol-1-yl)ethane (3). The compounds were characterized by elemental analysis, IR spectrum, H-1 NMR and C-13 NMR, and the crystal structures of compounds 2, 3-1, 3-2 were characterized by the X-ray diffraction technology (the compounds 3-1 and 3-2 are two different crystal structures of compound 3). Furthermore, with the Gaussian09 quantum chemistry package, the stabilities and charge distribution of the compounds were studied by the B3LYP method of density functional theory. By comparing the results between quantum calculation and X-ray diffraction, we found that they are fairly consistent. |
| 收录类别 | SCI |
| 语种 | 中文 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/54497]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, JZ,Wang, XY,Zhang, CS,et al. Synthesis, Structures and Quantum Chemistry Study on the Multidentate Ligands of Pyrazole[J]. ACTA CHIMICA SINICA,2011,69(15):1833. |
| APA | Wang, JZ,Wang, XY,Zhang, CS,Sun, MT,&Xing, YH.(2011).Synthesis, Structures and Quantum Chemistry Study on the Multidentate Ligands of Pyrazole.ACTA CHIMICA SINICA,69(15),1833. |
| MLA | Wang, JZ,et al."Synthesis, Structures and Quantum Chemistry Study on the Multidentate Ligands of Pyrazole".ACTA CHIMICA SINICA 69.15(2011):1833. |
入库方式： OAI收割
来源：物理研究所
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