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：

070304 ; 081704 ;

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

页码：1275 / 1282

页数：8

共 7 条

[1] Synthesis,Crystal Structure and Theoretical Calculations of a Cadmium Complex Containing 3-Hydroxybenzoic Acid and 1,4-Bis(imidazol-1-yl)-butane
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王少杰
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潘亚茹
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[2] A New Cd(Ⅱ) Coordination Polymer Constructed by 3-(2-Pyridyl)pyrazole and 5-Nitroisophthalic Acid:Synthesis, Crystal Structure and Theoretical Calculations
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