Two New Zn(Ⅱ) and Co(Ⅱ) Coordination Polymers Constructed by 4-Bromobenzoic Acid and 1,4-Bis(imidazol-1-yl)-butane: Synthesis, Crystal Structure and Theoretical Calculations

被引：1

作者：

潘亚茹 ^{[1
]}

李秀梅 ^{[1
]}

刘博 ^{[2
]}

周实 ^{[2
]}

常鹰飞 ^{[3
]}

机构：

[1] Faculty of Chemistry, Tonghua Normal University

[2] Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education

[3] Faculty of Chemistry, Northeast Normal University

来源：

Chinese Journal of Structural Chemistry | 2019年 / 38卷 / 04期

关键词：

synthesis; crystal structure; Zn(Ⅱ) complex; Co(Ⅱ) complex; natural bond orbital;

D O I：

10.14102/j.cnki.0254-5861.2011-2103

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：

Two new coordination polymers, [Zn（bba）;（bib）];（1） and [Co;（bba）(bib);];（2）(Hbba = 4-bromobenzoic acid, bib = 1,4-bis（imidazol-1-yl）-butane), have been hydrothermally designed and synthesized, and their structures were determined by elemental analyses, IR spectroscopy, TG, fluorescence spectroscopy, X-ray single-crystal and powder diffraction. Complexes 1 and 2 both belong to the monoclinic system and exhibit one-dimensional zigzag chain-like structure. In addition, we analyzed Natural Bond Orbital（NBO） in using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results indicated the obvious covalent interaction between the coordinated atoms and Zn（Ⅱ）, Co（Ⅱ） ions.

引用

页码：635 / 643

页数：9

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