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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 被引量:1

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
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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/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.
作者 PAN Ya-Ru LI Xiu-Mei LIU Bo ZHOU Shi CHANG Ying-Fei 潘亚茹;李秀梅;刘博;周实;常鹰飞(Faculty of Chemistry, Tonghua Normal University;Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education;Faculty of Chemistry, Northeast Normal University)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第4期635-643,共9页 结构化学(英文)
基金 The project was supported by the Science and Technology development plan of Jilin province(2015052006JH)
关键词 SYNTHESIS crystal structure Zn(Ⅱ) COMPLEX Co(Ⅱ) COMPLEX natural bond orbital synthesis crystal structure Zn(Ⅱ) complex Co(Ⅱ) complex natural bond orbital
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