Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Barcelona, Spain.
J Am Chem Soc. 2013 May 8;135(18):7010-8. doi: 10.1021/ja4015138. Epub 2013 Apr 25.
Magnetic anisotropy is the property that confers to the spin a preferred direction that could be not aligned with an external magnetic field. Molecules that exhibit a high degree of magnetic anisotropy can behave as individual nanomagnets in the absence of a magnetic field, due to their predisposition to maintain their inherent spin direction. Until now, it has proved very hard to predict magnetic anisotropy, and as a consequence, most synthetic work has been based on serendipitous processes in the search for large magnetic anisotropy systems. The present work shows how the property can be predicted based on the coordination numbers and electronic structures of paramagnetic centers. Using these indicators, two Co(II) complexes known from literature have been magnetically characterized and confirm the predicted single-molecule magnet behavior.
磁各向异性是赋予自旋一个优先方向的特性，该方向可能与外磁场不一致。由于其倾向于保持固有自旋方向，因此表现出高磁各向异性的分子在没有磁场的情况下可以像单个纳米磁铁一样行为。到目前为止，已经证明很难预测磁各向异性，因此大多数合成工作都是基于在寻找大磁各向异性系统时的偶然过程。本工作展示了如何根据顺磁中心的配位数和电子结构来预测该性质。使用这些指标，对文献中已知的两个 Co(II)配合物进行了磁性表征，并证实了预测的单分子磁体行为。
