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Solvent-Induced Structural Diversity and Magnetic Research of Two Cobalt(II) Complexes.

ABSTRACT: The solvent-induced topological and structural diversities of two Co(II) complexes, namely, [Co(L)₂(SCN)₂] (Co1) and [Co₂(L)₂(SCN)(OAc)₃] (Co2) (L = 8-methoxyquinoline), were comparatively analyzed. Certain proportions of L, Co(OAc)₂·4H₂O, and NaSCN were mixed and dissolved in CH₃OH at 60 °C to obtain complex Co1. Complex Co2, an asymmetric dinuclear compound, was obtained by simply replacing CH₃OH with CH₃CN as the solvent. The Co(II) ion in complex Co1 was coordinated by the N₄O₂ mode provided by two L ligands and two SCN^- anions. The two Co(II) ions in Co2 were in the N₂O₄ and NO₅ coordination environment and were linked by two ?₂-OAc^- bridges and one rare ?₃-OAc^- bridge. Weak interaction analysis revealed that complexes Co1 and Co2 exhibited 6-connected shp and 14-connected fcu nets, respectively. Magnetic studies showed that Co1 demonstrated single-ion magnet behavior under 2000 Oe. These behaviors are indicative of clearly field-induced single-ion magnetic behavior with U _eff = 34.7(2) K and ?₀ = 2.7(2) × 10^-7 s under 2000 Oe dc field, respectively. By contrast, Co2 lacked frequency dependence under zero-field conditions. Electrospray ionization mass spectrometry indicated that two complexes were stable in N,N-dimethylformamide.

SUBMITTER: Ma XF

PROVIDER: S-EPMC6921263 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Solvent-Induced Structural Diversity and Magnetic Research of Two Cobalt(II) Complexes.

Ma Xiong-Feng XF Wang Hai-Ling HL Zhu Zhong-Hong ZH Zou Hua-Hong HH Liu Bin B Wang Zhenxing Z Ouyang Zhong-Wen ZW Liang Fu-Pei FP

ACS omega 20191204 25

The solvent-induced topological and structural diversities of two Co(II) complexes, namely, [Co(L)2(SCN)2] (Co1) and [Co2(L)2(SCN)(OAc)3] (Co2) (L = 8-methoxyquinoline), were comparatively analyzed. Certain proportions of L, Co(OAc)2·4H2O, and NaSCN were mixed and dissolved in CH3OH at 60 °C to obtain complex Co1. Complex Co2, an asymmetric dinuclear compound, was obtained by simpl ...[more]

PMID: 31867480

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Project description:The concurrent effects of single-ion anisotropy and exchange interactions on the electronic structure and magnetization dynamics have been analyzed for a cobalt(ii)-semiquinonate complex. Analogs containing diamagnetic catecholate and tropolonate ligands were employed for comparison of the magnetic behavior and zinc congeners assisted with the spectroscopic characterization and assessment of intermolecular interactions in the cobalt(ii) compounds. Low temperature X-band (? ? 9.4 GHz) and W-Band (? ? 94 GHz) electron paramagnetic resonance spectroscopy and static and dynamic magnetic measurements have been used to elucidate the electronic structure of the high spin cobalt(ii) ion in [Co(Me3tpa)(Br4cat)] (1; Me3tpa = tris[(6-methyl-2-pyridyl)methyl]amine, Br4cat2- = tetrabromocatecholate) and [Co(Me3tpa)(trop)](PF6) (2(PF6); trop- = tropolonate), which show slow relaxation of the magnetization in applied field. The cobalt(ii)-semiquinonate exchange interaction in [Co(Me3tpa)(dbsq)](PF6)·tol (3(PF6)·tol; dbsq- = 3,5-di-tert-butylsemiquinonate, tol = toluene) has been determined using an anisotropic exchange Hamiltonian in conjunction with multistate restricted active space self-consistent field ab initio modeling and wavefunction analysis, with comparison to magnetic and inelastic neutron scattering data. Our results demonstrate dominant ferromagnetic exchange for 3+ that is of similar magnitude to the anisotropy parameters of the cobalt(ii) ion and contains a significant contribution from spin-orbit coupling. The nature of the exchange coupling between octahedral high spin cobalt(ii) and semiquinonate ligands is a longstanding question; answering this question for the specific case of 3+ has confirmed the considerable sensitivity of the exchange to the molecular structure. The methodology employed will be generally applicable for elucidating exchange coupling between orbitally-degenerate metal ions and radical ligands and relevant to the development of bistable molecules and their integration into devices.

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Solvent-Induced Structural Diversity and Magnetic Research of Two Cobalt(II) Complexes.

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Solvent-Induced Structural Diversity and Magnetic Research of Two Cobalt(II) Complexes.

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