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- Title
A new cobalt(II)-containing coordination polymer composed of dinuclear metal units: synthesis, crystal structure, and magnetic properties with DFT calculations.
- Authors
Liu, Xiangyu; Liu, Huaixian; Zhou, Huiliang; Cen, Peipei; Jin, Xiaoyong; Song, Weiming; Luo, Shuchang; Hu, Qilin
- Abstract
A new Co(II)-based compound with a 3-phenyl-5-(pyridin-4-yl)-1,2,4-triazole (4-Hppt) and isophthalic acid (H2ip) mixed ligand, [Co(4-Hppt)2(ip)] ( 1), has been synthesized and structurally and magnetically characterized. The structure of compound 1 consists of one-dimensional coordination chains based on the Co2 units bridged by dual carboxylate groups, where the pyridyl nitrogen atoms in 4-Hppt ligands are located in the axial coordination sites of the octahedral Co(II) nodes. Magnetic investigation suggests that the magnetic coupling derived from the dinuclear Co(II) ions is a moderately antiferromagnetic exchange in the title compound. Moreover, DFT calculations have been performed on the compound to offer a qualitatively theoretical explanation of the magnetic behavior.
- Subjects
COORDINATION polymers synthesis; COBALT compounds; LIGANDS (Chemistry); DENSITY functional theory; CRYSTAL structure; MAGNETIC coupling
- Publication
Canadian Journal of Chemistry, 2015, Vol 93, Issue 11, p1214
- ISSN
0008-4042
- Publication type
Article
- DOI
10.1139/cjc-2015-0259