2026-04-14T02:55:12Zhttps://recercat.cat/oai/request

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

00925njm 22002777a 4500 dc 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. author 2020-04-16T11:28:56Z 2020-05-08T05:10:25Z 2019-05-08 2020-04-16T11:28:56Z 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. Metalls de terres rares Propietats magnètiques Estructura electrònica Rare earth metals Magnetic properties Electronic structure Magnetization slow dynamics in ferrocenium complexes