Artículo

Onia, O.B.; Alcoba, D.R.; Massaccesi, G.E.; Torre, A.; Lain, L.; Melo, J.I.; Oliva-Enrich, J.M.; Peralta, J.E."Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands" (2019) Inorganic Chemistry. 58(4):2550-2557
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Abstract:

In this work we present a computational analysis of a new family of magnetic Co(II) single-ion complexes with large magnetic anisotropy based on icosahedral and octahedral carborane ligands. In particular, we extend our previous computational work on mononuclear Co(II) complexes with 1,2-(HS) 2 -1,2-C 2 B 10 H 10 and 9,12-(HS) 2 -1,2-C 2 B 10 H 10 icosahedral o-carborane ligands to a larger set of complexes where the Co(II) ion is doubly chelated by those ligands and by other two positional isomers belonging to the 1,2-dicarba-closo-dodecaborane family. We also describe Co(II) complexes with octahedral ligands derived from 1,2-dicarba-closo-hexaborane and study the effects of replacing a thiol group by a hydroxy group in both polyhedral geometries, as well as the influence of the position of the carbon atoms. On analysis of the results for a total of 20 complexes, our results show that carborane-based Co(II) single-ion compounds present a distorted-tetrahedral geometry, high-spin ground states, and high values for the magnetic anisotropy parameters. We point out which of these would be suitable candidates to be synthesized and used as molecular magnets. © 2019 American Chemical Society.

Registro:

Documento: Artículo
Título:Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands
Autor:Onia, O.B.; Alcoba, D.R.; Massaccesi, G.E.; Torre, A.; Lain, L.; Melo, J.I.; Oliva-Enrich, J.M.; Peralta, J.E.
Filiación:Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de la Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, La Plata, 1900, Argentina
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires, 1428, Argentina
Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires, 1428, Argentina
Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires, 1428, Argentina
Departamento de Química Física, Facultad de Ciencia y Tecnologiá, Universidad Del País Vasco, Apdo. 644, Bilbao, E-48080, Spain
Instituto de Química Física Rocasolano, Consejo Superior de Investigaciones Científicas, Madrid, 28006, Spain
Department of Physics, Central Michigan University, Mount Pleasant, MI 48859, United States
Año:2019
Volumen:58
Número:4
Página de inicio:2550
Página de fin:2557
DOI: http://dx.doi.org/10.1021/acs.inorgchem.8b03156
Handle:http://hdl.handle.net/20.500.12110/paper_00201669_v58_n4_p2550_Onia
Título revista:Inorganic Chemistry
Título revista abreviado:Inorg. Chem.
ISSN:00201669
CODEN:INOCA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v58_n4_p2550_Onia

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Citas:

---------- APA ----------
Onia, O.B., Alcoba, D.R., Massaccesi, G.E., Torre, A., Lain, L., Melo, J.I., Oliva-Enrich, J.M.,..., Peralta, J.E. (2019) . Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands. Inorganic Chemistry, 58(4), 2550-2557.
http://dx.doi.org/10.1021/acs.inorgchem.8b03156
---------- CHICAGO ----------
Onia, O.B., Alcoba, D.R., Massaccesi, G.E., Torre, A., Lain, L., Melo, J.I., et al. "Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands" . Inorganic Chemistry 58, no. 4 (2019) : 2550-2557.
http://dx.doi.org/10.1021/acs.inorgchem.8b03156
---------- MLA ----------
Onia, O.B., Alcoba, D.R., Massaccesi, G.E., Torre, A., Lain, L., Melo, J.I., et al. "Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands" . Inorganic Chemistry, vol. 58, no. 4, 2019, pp. 2550-2557.
http://dx.doi.org/10.1021/acs.inorgchem.8b03156
---------- VANCOUVER ----------
Onia, O.B., Alcoba, D.R., Massaccesi, G.E., Torre, A., Lain, L., Melo, J.I., et al. Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands. Inorg. Chem. 2019;58(4):2550-2557.
http://dx.doi.org/10.1021/acs.inorgchem.8b03156