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Magnetization slow dynamics in ferrocenium complexes
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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.
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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.. Magnetization slow dynamics in ferrocenium complexes. _Chemistry-A European Journal_. 2019. Vol. 25, núm. 45, pàgs. 10625-10632. [consulta: 21 de gener de 2026]. ISSN: 0947-6539. [Disponible a: https://hdl.handle.net/2445/155528]