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Dysprosiacarboranes: A New Type of Organometallic Single-Molecule Magnets [post]

Peng-Bo Jin, Yuan-Qi Zhai, Ke-Xin Yu, Richard E. P. Winpenny, Yan-Zhen Zheng
2019 unpublished

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Dicarbollide ion, nido-C<sub>2</sub>B<sub>9</sub>H<sub>11</sub><sup>2-</sup> is isoelectronic with cyclopentadienyl. Here we make dysprosiacarboranes, namely [(C<sub>2</sub>B<sub>9</sub>H<sub>11</sub>)<sub>2</sub>Ln(THF)<sub>2</sub>][Na(THF)<sub>5</sub>] (Ln = Dy, <b>1Dy</b>) and
more » ... H<sub>2</sub>)<sub>2</sub>C<sub>2</sub>B<sub>9</sub>H<sub>9</sub>}<sub>2</sub>Li] <b>3</b> and show that dicarbollide ligands impose strong magnetic axiality on the central Dy(III) ion. The effective energy barrier (Ueff) for loss of magnetisation can be varied by the substitution pattern on the dicarbollide. This is demonstrated by comparing complexes of nido-C<sub>2</sub>B<sub>9</sub>H<sub>11</sub><sup>2-</sup> and nido-[o-xylylene-C<sub>2</sub>B<sub>9</sub>H<sub>9</sub>]<sup>2-</sup> which show Ueff of 430(5) K and 804(7) K, respectively. The blocking temperature defined by the open hysteresis temperature of 3 reaches 6.8 K. Moreover, the linear complex [Dy(C<sub>2</sub>B<sub>9</sub>H<sub>11</sub>)<sub>2</sub>]<sup>-</sup> is predicted to have comparable SMM properties with linear [Dy(CpMe<sub>3</sub>)<sub>2</sub>]<sup>+</sup> complex. As such, carboranyl ligands and its derivatives may open a new type of organometallic ligands for high-performance SMM design. <br>
doi:10.26434/chemrxiv.9976133.v1 fatcat:ahyvw5noi5habj3gqnwjlc2wfm
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Peng-Bo Jin, Yuan-Qi Zhai, Ke-Xin Yu, Richard E. P. Winpenny, Yan-Zhen Zheng. "Dysprosiacarboranes: A New Type of Organometallic Single-Molecule Magnets." (2019)