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

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髤及 Ni髤的配合物中,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髤中则只有 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。

In this paper a series of transition metal（Co,Ni,Zn） complexes based on a ligand,2-[（4-phenyl-1,2,3triazole） 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.