2026-04-17T01:59:10Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/1555282025-12-04T21:40:30Zcom_2072_1057col_2072_478917col_2072_478933
RECERCAT
author
Ding, Mei
author
Hickey, Anne K.
author
Pink, Maren
author
Telser, Joshua
author
Tierney, David L.
author
Amoza Dávila, Martín
author
Rouzières, Mathieu
author
Ozumzerzifon, Tarik J.
author
Hoffert, Wesley A.
author
Shores, Matthew P.
author
Ruiz Sabín, Eliseo
author
Clérac, Rodolphe
author
Smith, Jeremy M.
2020-04-16T11:28:56Z2020-05-08T05:10:25Z2019-05-082020-04-16T11:28:56Z
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.
(c) Wiley-VCH, 2019 info:eu-repo/semantics/openAccess
Metalls de terres rares
Propietats magnètiques
Estructura electrònica
Rare earth metals
Magnetic properties
Electronic structure
Magnetization slow dynamics in ferrocenium complexes
info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion