A New Two-dimensional Cd(Ⅱ) Complex Assembled by 1,3,5-Benzenetricarboxylic Acid and 3-(2-Pyridyl)pyrazole

被引：6
|
作者：
王秀艳 [1 ]
李秀梅 [2 ]
潘亚茹 [2 ]
刘博 [1 ]
周实 [1 ]
机构：
[1] Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education
[2] Faculty of Chemistry, Tonghua Normal University
来源：
Chinese Journal of Structural Chemistry | 2019年 / 38卷 / 08期
关键词：
coordination polymer; synthesis; crystal structure; cadmium complex; natural bond orbital;
D O I：
10.14102/j.cnki.0254-5861.2011-2220
中图分类号：
O641.4 [络合物化学（配位化学）];
学科分类号：
摘要：
A new 2D coordination polymer, {[Cd;（BTC）;（L）;（H;O）;];·2H;O};(1, H;BTC = 1,3,5-benzenetricarboxylic acid, HL = 3-（2-pyridyl）pyrazole) was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder XRD, IR, TGA, fluorescence spectrum and elemental analysis techniques. Complex 1 belongs to the monoclinic system, P2;space group, with a = 8.8732（4）, b = 17.5179（7）, c = 17.8123（7） ?, β = 103.1830（10）°, V = 2695.77（19） ?;and Z = 2. It features a 2D network constructed by BTC and L ligand. In addition, we analyzed Natural Bond Orbital（NBO） by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results indicated obvious covalent interactions between the coordinated atoms and Cd（Ⅱ） ion.
引用
收藏
页码：1275 / 1282
页数：8
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