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Title: Influence of the disposition of the anisotropy axes into the magnetic properties of Mn-III dinuclear compounds with benzoato derivative bridges
Author: Garcia Cirera, Beltzane
Gómez Coca, Silvia
Font Bardia, Ma. Mercedes
Ruiz Sabín, Eliseo
Corbella i Cordomí, Montserrat
Keywords: Manganès
Difracció de raigs X
X-rays diffraction
Issue Date: 17-Jul-2017
Publisher: American Chemical Society
Abstract: The two new Mn-III dinudear compounds [{Mn-(H2O)(phen)}(2)(mu-4-CH3C6H4COO)(2)(mu-O)](ClO4)(2)center dot 3CH(3)CN center dot H2O (1.3CH(3)CN center dot H2O) and [{Mn(H2O)(phen)}(mu-O)](mu-2-BrC6H4COO)(2){Mn(NO3)(phen)}]NO3 (2) have been synthesized. Their structural data reveal significant differences in the shape of the coordination octahedron around the Mn-III ions in both compounds. The different distortions from ideal geometry incite a very different magnetic behavior, affecting both the zero-field splitting parameters of the Mn-III ions (D-Mn and E-Mn) and the magnetic interaction between them. Compound 1, with elongation in the monodentate ligand direction, shows antiferromagnetic coupling (ground state S = 0) and local D-Mn < 0, while compound 2, with compression in the oxo bridge direction, displays a ferromagnetic interaction (ground state S = 4) and local D-Mn > 0. Theoretical CASSCF and DFT calculations corroborate the different magnetic anisotropy and exchange coupling found in both compounds. Moreover, with the help of theoretical calculations, some interesting magneto-structural correlations have been found between the degree of distortion of the coordination octahedra and the magnetic coupling; it becomes more antiferromagnetic when the elongation parameter, Delta, in absolute value is increased.
Note: Versió postprint del document publicat a:
It is part of: Inorganic Chemistry, 2017, vol. 56, num. 14, p. 8135-8146
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ISSN: 0020-1669
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)
Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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