| 基于2-(4-苯基-1，2，3-三唑)亚甲基吡啶(PTMP)的过渡金属配合物的合成与晶体结构 | |
| The Synthesis and Crystal Structure of Transition Metal Complexes Based on 2-[(4-Phenyl-1, 2, 3-triazole) methyl]pyridine | |
| 摘要: 本文报道了一类基于2-(4-苯基-1，2，3-三唑)亚甲基吡啶(PTMP)配体的过渡金属镍、钴和锌配合物的合成，并通过单晶衍射实验确定了它们的晶体结构。研究结果表明，在这类金属配合物中，PTMP均通过吡啶氮原子和1，2，3-三唑中的2位氮原子与金属配位，并形成了六元螯合环。在Co(Ⅱ)及Ni(Ⅱ)的配合物中，有2个PTMP参与配位，配位数为6，配合物的空间构型是畸变的八面体；而在Zn(Ⅱ)中则只有1个PTMP参与配位，配位数为4，配合物的空间构型是变形的四面体。晶体结构数据分析及理论计算结果表明，尽管PTMP分子中1，2，3-三唑环上的2位氮原子相对于3位氮原子而言，电子云密度较低，但在这类配合物中由于“螯合效应”2位氮原子仍然表现出了较强的配位能力。 | |
| 关键词: 1，2，3-三唑 合成 过渡金属配合物 晶体结构 | |
| 基金项目: | |
| Abstract: In this paper a series of transition metal (Co, Ni, Zn) complexes based on a ligand, 2-[(4-phenyl-1,2,3-triazole) methyl] pyridine (PTMP), has been reported. The crystal structure of the complexes is determined by single crystal X-ray diffraction. It is found that PTMP coordinates to the metal via Npy atom of pyridine group and N2 atom of 1,2,3-triazole unit to form a six-member chelating ring. The coordination number of Co(Ⅱ) and Ni(Ⅱ) complexes is 6 with distorted octahedron geometry, but Zn(Ⅱ) adopts distorted tetrahedron geometry with a coordination number of 4. From the crystal structural data and DFT calculation it can be inferred that the “chelating effect” enhances the coordination ability of N2 atom in 1,2,3-triazole group of PTMP even though it has lower electron density than N3 atom. This suggests that coordination of 1,4-subsititued-1,2,3-triazole ligand with different metals will afford an effective approach to construct new coordination supramolecular architectures or synthesize new functional coordination materials. CCDC: 759810, 1; 767939, 2; 767940, 3; 767941, 4. | |
| Keywords: 1,2,3-triazole transition metal complex synthesis crystal structure | |
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| 傅 杨,刘 炎,钟 成,李 桦,陈兴国,秦金贵.基于2-(4-苯基-1，2，3-三唑)亚甲基吡啶(PTMP)的过渡金属配合物的合成与晶体结构[J].无机化学学报,2010,26(7):1133-1140. | |
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