Fe-Gd Ferromagnetic Cyclic Coordination Cluster [Fe III 4 Gd III 4 (teaH) 8 (N 3 ) 8 (H 2 O)] with Magnetic Anisotropy─Theory and Experiment.

Autor: Schray D; Institute of Inorganic Chemistry (AOC), Karlsruhe Institute of Technology (KIT), Engesserstr. 15, 76131 Karlsruhe, Germany., Westerbeck D; Fakultät für Physik, Universität Bielefeld, Postfach 100131, 33501 Bielefeld, Germany., Braun J; Institute of Inorganic Chemistry (AOC), Karlsruhe Institute of Technology (KIT), Engesserstr. 15, 76131 Karlsruhe, Germany.; Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Herrmann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany., Lan Y; Institute of Inorganic Chemistry (AOC), Karlsruhe Institute of Technology (KIT), Engesserstr. 15, 76131 Karlsruhe, Germany., Gómez-Coca S; Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain., Wernsdorfer W; Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Herrmann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.; Physikalisches Institut (PHI), Karlsruhe Institute of Technology, Wolfgang-Gaede-Str. 1, 76131 Karlsruhe, Germany.; Institute for Quantum Materials and Technologies (IQMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany., Ruiz E; Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain., Anson CE; Institute of Inorganic Chemistry (AOC), Karlsruhe Institute of Technology (KIT), Engesserstr. 15, 76131 Karlsruhe, Germany., Schnack J; Fakultät für Physik, Universität Bielefeld, Postfach 100131, 33501 Bielefeld, Germany., Powell AK; Institute of Inorganic Chemistry (AOC), Karlsruhe Institute of Technology (KIT), Engesserstr. 15, 76131 Karlsruhe, Germany.; Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Herrmann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.; Institute for Quantum Materials and Technologies (IQMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2023 May 01; Vol. 62 (17), pp. 6642-6648. Date of Electronic Publication: 2023 Apr 17.
DOI: 10.1021/acs.inorgchem.3c00042
Abstrakt: The synthesis, structural, and magnetic characterization of [Fe III 4 Ln III 4 (teaH) 8 (N 3 ) 8 (H 2 O)] (Ln = Gd and Y) and the previously reported isostructural Dy analogue are discussed. The commonly held belief that both Fe III and Gd III can be regarded as isotropic ions is shown to be an oversimplification. This conclusion is derived from the magnetic data for the Y III analogue in terms of the zero-field splitting seen for Fe III and from the fact that the magnetic data for the new Gd III analogue can only be fit employing an additional anisotropy term for the Gd III ions. Furthermore, the Fe 4 Gd 4 ring shows slow relaxation of magnetization. Our analysis of the experimental magnetic data employs both density functional theory as well as the finite-temperature Lanczos method which finally enables us to provide an almost perfect fit of magnetocaloric properties.
Databáze: MEDLINE
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