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http://hdl.handle.net/2445/142780
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DC Field | Value | Language |
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dc.contributor.author | Mondal, Amit Kumar | - |
dc.contributor.author | Jover Modrego, Jesús | - |
dc.contributor.author | Ruiz Sabín, Eliseo | - |
dc.contributor.author | Konar, Sanjit | - |
dc.date.accessioned | 2019-10-22T11:57:48Z | - |
dc.date.available | 2019-10-22T11:57:48Z | - |
dc.date.issued | 2017-09-12 | - |
dc.identifier.issn | 0947-6539 | - |
dc.identifier.uri | http://hdl.handle.net/2445/142780 | - |
dc.description.abstract | In this paper, the influence of the structural and chemical effects on the Ising-type magnetic anisotropy of pentacoordinate Co-II complexes has been investigated by using a combined experimental and theoretical approach. For this, a deliberate design and synthesis of four pentacoordinate Co-II complexes [Co(tpa)Cl]ClO4 (1), [Co(tpa)Br]ClO4 (2), [Co(tbta)Cl](ClO4)(MeCN)(2)(H2O) (3) and [Co(tbta)Br]ClO4 (4) by using the tripodal ligands tris(2-methylpyridyl)amine (tpa) and tris[(1-benzyl-1H-1,2,3-triazole-4-yl)methyl]amine) (tbta) have been carried out. Detailed dc and ac measurements show the existence of field-induced slow magnetic relaxation behavior of Co-II centers with Ising-type magnetic anisotropy. A quantitative estimation of the zero-field splitting (ZFS) parameters has been effectively achieved by using detailed ab initio theory calculations. Computational studies reveal that the wavefunction of all the studied complexes has a very strong multiconfigurational character that stabilizes the largest m(s)=+/- 3/2 components of the quartet state and hence produce a large negative contribution to the ZFS parameters. The difference in the magnitudes of the Ising-type anisotropy can be explained through ligand field theory considerations, that is, D is larger and negative in the case of weak equatorial sigma-donating and strong apical -donating ligands. To elucidate the role of intermolecular interactions in the magnetic relaxation behavior between adjacent Co-II centers, a diamagnetic isostructural Zn-II analog (5) was synthesized and the magnetic dilution experiment was performed. | - |
dc.format.extent | 9 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Wiley-VCH | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1002/chem.201702108 | - |
dc.relation.ispartof | Chemistry-A European Journal, 2017, vol. 23, num. 51, p. 12550-12558 | - |
dc.relation.uri | https://doi.org/10.1002/chem.201702108 | - |
dc.rights | (c) Wiley-VCH, 2017 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Imants | - |
dc.subject.classification | Anisotropia | - |
dc.subject.classification | Lligands | - |
dc.subject.other | Magnets | - |
dc.subject.other | Anisotropy | - |
dc.subject.other | Ligands | - |
dc.title | Quantitative estimation of ising-type magnetic anisotropy in a family of C-3-symmetric Co-II complexes | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 679222 | - |
dc.date.updated | 2019-10-22T11:57:49Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
Files in This Item:
File | Description | Size | Format | |
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679222.pdf | 2.32 MB | Adobe PDF | View/Open |
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