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Insights into the Spin Dynamics of Mononuclear Cerium(III) Single-Molecule Magnets Mautner, Franz A. Bierbaumer, Florian Fischer, Roland C. Tubau Ribot, Ànnia Speed Castro, Saskia Ruiz Sabín, Eliseo Massoud, Salah S. Vicente Castillo, Ramón Gómez Coca, Silvia Propietats magnètiques Ions Lligands Magnetic properties Ions Ligands Four novel CeIII mononuclear complexes of formulas [Ce(ntfa)3(MeOH)2] (1), [Ce(ntfa)3(5,5′-Me2bipy)] (2), [Ce(ntfa)3(terpy)] (3), and [Ce(ntfa)3(bipy)2] (4), where ntfa = 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionato, 5,5′-Me2bipy = 5,5′-dimethyl-2,2′-dipyridyl, terpy = 2,2′:6′,2″-terpyridine, and bipy = 2,2′-bipyridine, have been synthesized and structurally characterized with CeIII displaying coordination numbers of 8, 8, 9, and 10, respectively. Magnetic measurements indicate that all the complexes show a field-induced single-ion magnet behavior under a small applied dc field. The magnetic analysis shows the relevance of the different spin relaxation mechanisms in the magnetic relaxation of the CeIII compounds, with special emphasis on the local-mode process. Multiconfigurational calculations were also performed to get more information on the axiality of the compounds. 2023-03-24T14:57:40Z 2023-03-24T14:57:40Z 2022 2023-03-24T14:57:40Z info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Reproducció del document publicat a: https://doi.org/10.1021/acs.inorgchem.2c00958 Inorganic Chemistry, 2022, vol. 61, num. 29, p. 11124-11136 https://doi.org/10.1021/acs.inorgchem.2c00958 cc-by (c) Mautner, Franz A. et el., 2022 http://creativecommons.org/licenses/by/3.0/es/ info:eu-repo/semantics/openAccess American Chemical Society Articles publicats en revistes (Química Inorgànica i Orgànica)