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 | Health & Environmental Research Online (HERO)

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Citation
Tags

HERO ID

5931098

Reference Type

Journal Article

Title

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

Author(s)

Pan Ya-Ru; Li Xiu-Mei; Liu Bo; Zhou Shi; Chang Ying-Fei

Year

2019

Is Peer Reviewed?

Yes

Journal

Chinese Journal of Structural Chemistry
ISSN: 0254-5861

Volume

Issue

Page Numbers

635-643

DOI

10.14102/j.cnki.0254-5861.2011-2103

Web of Science Id

WOS:000467146600017

Abstract

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.

Keywords

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