| [Zn(py)2SHSH]的合成、晶体结构及理论研究 |
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| 引用本文： | 胡宗球,丁瑜,祝心德,陈彦国,王成刚.[Zn(py)2SHSH]的合成、晶体结构及理论研究[J].无机化学学报,2005,21(1):78-82. |
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| 作者姓名： | 胡宗球 丁瑜 祝心德 陈彦国 王成刚 |
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| 作者单位： | 1. 华中师范大学化学学院,武汉,430079
2. 湖北师范学院化学系,黄石,435002 |
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| 基金项目： | 湖北省教委重点资助项目(No.00A046) |
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| 摘 要： | The crystal of zinc complex with salicylaldehyde salicylhydrazone(SHSH) was obtained in DMF and pyridine. It has been characterized by IR, UV, element analysis and X-ray diffraction analysis. The crystallographic data were as follows: monoclinic system, space group Pn, a=1.094 6 nm, b=0.884 0 nm, c=1.161 0 nm, β=101.350°, Z=2, V=1.101 0 nm3, Dc=1.441 g·cm-3, μ=1.148 mm-1, F(000)=492 and the final R=0.029 5 and wR=0.068 5 for 2 642 observed reflections with I≥2σ(I). The X-ray crystal structure analysis revealed that the center zinc(Ⅱ) is bonded to two oxygen atoms and one nitrogen atoms from a tridentate ligand(SHSH) and two nitrogen atoms from two solvent pyridine molecules to form a five-coordinate distorted trigonal bipyramid. The full-optimized molecular geometries of title complex was calculated at B3LYP/6-31G and HF/6-31G levels with Guassian 98W program. CCDC: 252832.
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| 关 键 词： | 水杨醛缩水杨酰肼席夫碱 [Zn(py)2SHSH] 晶体结构 B3LYP |
| 文章编号： | 1001-4861(2005)01-0078-05 |
| 收稿时间： | 6/8/2004 12:00:00 AM |
| 修稿时间： | 2004年6月8日 |
Synthesis, Crystal Structure and Theoretical Study of [Zn(py)2SHSH] |
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| HU Zong-Qiu,DING Yu,ZHU Xin-De,CHEN Yan-Guo and WANG Cheng-Gang.Synthesis, Crystal Structure and Theoretical Study of [Zn(py)2SHSH][J].Chinese Journal of Inorganic Chemistry,2005,21(1):78-82. |
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| Authors: | HU Zong-Qiu DING Yu ZHU Xin-De CHEN Yan-Guo and WANG Cheng-Gang |
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| Institution: | College of Chemistry, Central China Normal University, Wuhan 430079,College of Chemistry, Central China Normal University, Wuhan 430079,College of Chemistry, Central China Normal University, Wuhan 430079,Department of Chemistry, Hubei Normal University, Huangshi 435002 and College of Chemistry, Central China Normal University, Wuhan 430079 |
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| Abstract: | |
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| Keywords: | salicylaldehyde salicylhydrazone [Zn(py)2SHSH] crystal structure B3LYP |
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