Issue 66, 2019

Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies

Abstract

Three cobalt-based coordination polymers [Co(Htatb)(1,3-bimyb)] (1), [Co(Htatb)(bimbp)]·DMF (2), and [Co(Htatb)(1,4-bimyb)]·H2O (3) [H3tatb = 4,4′,4′′-s-triazine-2,4,6-tribenzoic acid, 1,3-bimyb = 1,3-bis(imidazole-1-ylmethyl)benzene, bimbp = 4,4′-bis(imidazolyl)biphenyl, 1,4-bimyb = 1,4-bis (imidazole-1-ylmethyl)benzene] were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, thermogravimetric analyses, IR spectroscopy, UV-vis spectroscopy and elemental analysis. Compound 1 shows a double-strand chain structure, due to the intermolecular O–H⋯O hydrogen bonds and aromatic π–π stacking interactions, the adjacent chains are connected to produce a 3D supramolecular structure. Compound 2 shows a 2D structure with a 1D channel. Compound 3 displays a 2D layer structure, furthermore these layers are joined by O–H⋯O hydrogen bonding to generate a four-fold interpenetrating 3D architecture. The fluorescence properties of 1–3 and the magnetic behavior of 1 and 2 have also been investigated. Based on their crystal structures, compounds 1 and 2 were investigated using hybrid DFT methods at the B3LYP/6-31G (d) level. The DFT-BS approach was applied to study the magnetic coupling behavior. The results reveal that the calculated exchange coupling constants J were in good agreement with the experimental data.

Graphical abstract: Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies

Supplementary files

Article information

Article type
Paper
Submitted
24 Sep 2019
Accepted
20 Nov 2019
First published
26 Nov 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 38902-38911

Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies

L. Tang, H. Wang, Y. Fu, Y. Wang, J. Wang and X. Hou, RSC Adv., 2019, 9, 38902 DOI: 10.1039/C9RA07737E

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