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oai:recercat.cat:2445/1555282025-12-04T21:40:30Zcom_2072_1057col_2072_478917col_2072_478933

urn:hdl:2445/155528 Magnetization slow dynamics in ferrocenium complexes Ding, Mei Hickey, Anne K. Pink, Maren Telser, Joshua Tierney, David L. Amoza Dávila, Martín Rouzières, Mathieu Ozumzerzifon, Tarik J. Hoffert, Wesley A. Shores, Matthew P. Ruiz Sabín, Eliseo Clérac, Rodolphe Smith, Jeremy M. Metalls de terres rares Propietats magnètiques Estructura electrònica Rare earth metals Magnetic properties Electronic structure The Single-Molecule Magnet (SMM) properties of a series of ferrocenium complexes, [Fe(5-C5R5)2]+ (R = Me, Bn), are reported. In the presence of an applied dc field, the slow dynamics of the magnetization in [Fe(5-C5Me5)2]BArF are revealed. Multireference quantum mechanical calculations show a large energy difference between the ground and first excited states, excluding the commonly invoked, thermally activated (Orbach-like) mechanism of relaxation. In contrast, a detailed analysis of the relaxation time highlights that both direct and Raman processes are responsible for the SMM properties. Similarly, the bulky ferrocenium complexes, [Fe(5-C5Bn5)2]BF4 and [Fe(5-C5Bn5)2]PF6, also exhibit magnetization slow dynamics, however an additional relaxation process is clearly detected for these analogous systems. 2020-04-16T11:28:56Z 2020-05-08T05:10:25Z 2019-05-08 2020-04-16T11:28:56Z info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Versió postprint del document publicat a: https://doi.org/10.1002/chem.201900799 Chemistry-A European Journal, 2019, vol. 25, num. 45, p. 10625-10632 https://doi.org/10.1002/chem.201900799 (c) Wiley-VCH, 2019 info:eu-repo/semantics/openAccess Wiley-VCH Articles publicats en revistes (Química Inorgànica i Orgànica)