| 1-(对甲苯基)-2-(三对甲苯基-5-亚磷酰基)乙醛的汞(Ⅱ)配合物的X射线晶体学、光谱表征和理论计算研究 |
| X-ray Crystallography, Spectral Characterization and Computational Studies of Mercury(Ⅱ) Complex with 1-(p-Tolyl)-2-(tri-p-tolyl-λ5-phosphanylidene)ethan-1-one |
| 作者 | 单位 | E-mail | | Mahsa Pourmirza | Department of Chemistry, Faculty of Science, Urmia University, P O Box 57153-165, Urmia, Iran | | | Shahla Ebrahimnezhad | Department of Chemistry, Faculty of Science, Urmia University, P O Box 57153-165, Urmia, Iran | | | Ali Ramazani | Department of Chemistry, Faculty of Science, Zanjan University, P O Box 45195-313, Zanjan, Iran | | | Aidin Bahrami | Department of Chemistry, Faculty of Science, Urmia University, P O Box 57153-165, Urmia, Iran | | | Sholeh. Alaei | Department of physics, Faculty of Science, Urmia branch, Islamic Azad University, Urmia, Iran | | | Ali. Reza Dadrass | Department of Chemistry, Faculty of Science, Urmia University, P O Box 57153-165, Urmia, Iran | dadrassi@yahoo.com |
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| 摘要: 通过2-溴-1-（对甲苯基）乙醛与三（对甲苯基）膦的反应制备α-磷配体：1-（对甲苯基）-2-（三对甲苯基-5-亚磷酰基）乙醛（L）。氯化镉和溴化汞与L分别反应，生成配合物[Cd（L）Cl2]2（C1）和[Hg（L）（μ2-Br）Br]2（C2）。用IR和NMR（1H，13C，31P）对配合物进行了表征。通过单晶X射线衍射测定了C2的结构，并在B3LYP/6-31G*水平对C2的结构进行了DFT计算研究，以揭示C2的复合反应位点与Schiff碱等亲核基团的相互作用。 |
| 关键词: 磷配体 汞(Ⅱ)配合物 三(对甲苯基)膦 |
| 基金项目: |
| Abstract: The α-phosphorus ligand 1-(p-tolyl)-2-(tri-p-tolyl-λ5-phosphanylidene)ethan-1-one(L) was prepared by the reaction of 2-bromo-1-(p-tolyl)ethan-1-one with tri(p-tolyl) phosphine. The reactions of L with cadmium chloride and mercury bromide resulted in[Cd(L)Cl2]2 (C1) and[Hg(L)(μ2-Br)Br]2 (C2), respectively. The complexes were characterized by IR and NMR (1H, 13C, 31P). The structure of C2 was detected by single crystal X-ray diffraction and its DFT computational studies at B3LYP/6-31G* level were also performed to reveal the interaction between the reaction site of complex C2 and nucleophilic groups such as Schiff base. |
| Keywords: phosphorus ligand mercury(Ⅱ) halide complex tri(p-tolyl) phosphine |
| 投稿时间：2018-09-14 修订日期：2018-12-03 |
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| Mahsa Pourmirza,Shahla Ebrahimnezhad,Ali Ramazani,Aidin Bahrami,Sholeh. Alaei,Ali. Reza Dadrass.1-(对甲苯基)-2-(三对甲苯基-5-亚磷酰基)乙醛的汞(Ⅱ)配合物的X射线晶体学、光谱表征和理论计算研究[J].无机化学学报,2019,35(2):344-350. |
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