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Title: Magnetization slow dynamics in ferrocenium complexes
Author: 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
Clerac, Rodolphe
Smith, Jeremy M.
Keywords: Metalls de terres rares
Propietats magnètiques
Estructura electrònica
Rare earth metals
Magnetic properties
Electronic structure
Issue Date: 8-May-2019
Publisher: Wiley-VCH
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.
Note: Versió postprint del document publicat a:
It is part of: Chemistry-A European Journal, 2019, vol. 25, num. 45, p. 10625-10632
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ISSN: 0947-6539
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

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