Magnetic Study on a Two-Dimensional Coordination Polymer with Mixed Bridging Ligands
- 1 June 2006
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 110 (24), 7677-7681
- https://doi.org/10.1021/jp056487l
Abstract
A two-dimensional coordination polymer, [Co(μ1,3-SCN)2(μ1,6-dmpzdo)]n (where dmpzdo = 2,5-dimethylpyrazine-1,4-dioxide), has been synthesized and its crystal structure determined by X-ray crystallography. In the complex, the adjacent Co(II) ions are coordinated by μ1,3-SCN- bridging ligands which forms a one-dimensional chain along the a axis; the one-dimensional chains are further connected by μ1,6-dmpzdo bridging ligands which leads to the formation of a two-dimensional layer on the ac plane. The theoretical calculations reveal that a ferromagnetic coupling exists between the μ1,3-SCN- bridging Co(II) ions and an anti-ferromagnetic interaction between the μ1,6-dmpzdo bridging Co(II) ions, and the anti-ferromagnetic interaction is stronger than the ferromagnetic interaction. The fitting of the variable-temperature (34−300 K) magnetic susceptibilities reveals that there is an anti-ferromagnetic coupling between the bridging Co(II) ions with the magnetic coupling constant J = −3.52 cm-1.Keywords
This publication has 20 references indexed in Scilit:
- Magnetic Coupling in End-to-End Azido-Bridged Copper and Nickel Binuclear Complexes: A Theoretical StudyInorganic Chemistry, 2000
- Enantioselective magnetochiral photochemistryNature, 2000
- Toward the Prediction of Magnetic Coupling in Molecular Systems: Hydroxo- and Alkoxo-Bridged Cu(II) Binuclear ComplexesJournal of the American Chemical Society, 1997
- Macroscopic Measurement of Resonant Magnetization Tunneling in High-Spin MoleculesPhysical Review Letters, 1996
- Structural dependence of the singlet-triplet gap in doubly bridged copper dimers: a variational CI calculationChemical Physics, 1994
- Density-functional thermochemistry. III. The role of exact exchangeThe Journal of Chemical Physics, 1993
- Variational calculation of small energy differences. The singlet-triplet gap in [Cu2Cl6]2−Chemical Physics Letters, 1992
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- The Donor Properties of 2,2'-Bipyridine N,N'-DioxideInorganic Chemistry, 1963