RT Journal Article
T1 Predetermined Ferromagnetic Coupling via Strict Control of M–O–M Angles
A1 Fondo Busto, María Matilde
A1 Doejo, Jesús
A1 García Deibe, Ana María
A1 Sanmartín Matalobos, Jesús
A1 Vicente, Ramón
A1 El-Fallah, Mohamed S.
A1 Amoza, Martín
A1 Ruiz, Eliseo
K1 Ferromagnetism
K1 DFT calculations
K1 Cobalt and nickel
K1 Phenolate bridge
K1 Imidazolidine bridge
AB An imidazolidine–phenolate ligand HL yields quadruple-bridged (μ-NCNimidazolidine)2(μ-Ophenolate)2 ferromagnetic dinuclear nickel and cobalt complexes. Both kinds of bridges contribute to the ferromagnetic coupling, but the ferromagnetism of these samples is mainly ascribed to the double μ-Ophenolate links, on the basis of density functional theory calculations. These studies demonstrate not only that the short M–O–M angles of the M2O2 cores favors the parallel alignment of the electrons but also that these angles are the optimal ones for maximizing the ferromagnetic contribution in these complexes. And these acute angles, close to 90°, are predetermined by the geometrical constrictions imposed by the ligand itself. Thus, HL is an uncommon polydentate donor that induces ferromagnetism per se in its metal complexes by strict control of one geometric parameter, the M–O–M angle.
PB ACS
YR 2016
FD 2016
LK https://hdl.handle.net/10347/38405
UL https://hdl.handle.net/10347/38405
LA eng
NO Predetermined Ferromagnetic Coupling via Strict Control of M–O–M Angles Matilde Fondo, Jesús Doejo, Ana M. García-Deibe, Jesús Sanmartín-Matalobos, Ramón Vicente, Mohamed S. El-Fallah, Martín Amoza, and Eliseo Ruiz Inorganic Chemistry 2016 55 (22), 11707-11715 DOI: 10.1021/acs.inorgchem.6b01739
NO This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2016 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.6b01739
NO Authors thank the Spanish Ministerio de Economía y Competitividad for financial support (CTQ2014-56312-P, CTQ2015-64579-C3-1-P and CTQ2015-63614-P). M. A. acknowledges Ministerio de Educación, Cultura y Deporte for an FPU predoctoral grant. E. R. thanks Generalitat de Catalunya for an ICREA Academia grant. We acknowledge computational resources provided by the Consorci Universitari de Serveis de Catalunya.
DS Minerva
RD 25 abr 2026