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：0

作者：

Pan Ya-Ru ^{[1
]}

Li Xiu-Mei ^{[1
]}

Liu Bo ^{[2
]}

Zhou Shi ^{[2
]}

Chang Ying-Fei ^{[3
]}

机构：

[1] Tonghua Normal Univ, Fac Chem, Tonghua 134002, Peoples R China

[2] Jilin Normal Univ, Minist Educ, Key Lab Preparat & Applicat Environm Friendly Mat, Changchun 130103, Jilin, Peoples R China

[3] Northeast Normal Univ, Fac Chem, Changchun 130024, Jilin, Peoples R China

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; METAL-ORGANIC FRAMEWORK; 5-NITROISOPHTHALIC ACID; HYDROTHERMAL SYNTHESIS; ZINC COMPLEX; FLUORESCENCE; MANGANESE; COBALT; SERIES;

D O I：

10.14102/j.cnki.0254-5861.2011-2103

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two new coordination polymers, [Zn(bba)(2)(bib)](2n) (1) and [Co-0.5(bba)(bib)(0.5)](2n) (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/LANL2DZ 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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