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Accepted version

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2019-05-08

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/155528

Magnetization slow dynamics in ferrocenium complexes

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https://doi.org/10.1002/chem.201900799

Abstract

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.

Subject

Metalls de terres rares, Propietats magnètiques, Estructura electrònica

Subject (English)

Rare earth metals, Magnetic properties, Electronic structure

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Articles publicats en revistes (Química Inorgànica i Orgànica)

Citation

DING, Mei, et al. Magnetization slow dynamics in ferrocenium complexes. Chemistry-A European Journal. 2019. Vol. 25, num. 45, pags. 10625-10632. ISSN 0947-6539. [consulted: 7 of August of 2026]. Available at: https://hdl.handle.net/2445/155528

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