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Magnetic Properties of a Family of [MnIII4LnIII4] Wheel Complexes: An Experimental and Theoretical Study

Abstract: The chelating ligand 1,3-bis(tris(hydroxymethyl)methylamino)propane (H6L) has been used to synthesize a family of octanuclear heterometallic complexes with the formula (NMe4)3[Mn4Ln4(H2L)3(H3L)(NO3)12] (Ln = La (1), Ce (2), Pr (3), Nd (4)). Encapsulation by the ligand causes the Mn(III) centers to lie in an unusually distorted (?C2v) environment, which is shown by density functional theory and complete active space self-consistent field calculations to impact on the magnetic anisotropy of the Mn(III) ion. The theoretical study also supports the experimental observation of a ferromagnetic superexchange interaction between the Mn(III) ions in 1, despite the ions being separated by the diamagnetic La(III) ion. The optical properties of the compounds show that the distortion of the Mn(III) ions leads to three broad absorption bands originating from the transition metal ion, while the Nd(III) containing complex also displays some weak sharp features arising from the lanthanide f?f transitions.

Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Fuente: Inorg. Chem. 58, 13815?13825 (2019)

Editorial: American Chemical Society

 Fecha de publicación: 01/10/2019

Nº de páginas: 11

Tipo de publicación: Artículo de Revista

DOI: 10.1021/acs.inorgchem.9b01592

ISSN: 0020-1669,1520-510X

Proyecto español: MAT2015-69508-P

Url de la publicación: https://doi.org/10.1021/acs.inorgchem.9b01592

Autores/as

CRAIG, GAVIN A.

VELMURUGAN, GUNASEKARAN

WILSON, CLAIRE

RAJARAMAN, GOPALAN

MURRIE, MARK