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Wiley, Angewandte Chemie, 7(129), p. 1856-1860, 2017

DOI: 10.1002/ange.201611345

Wiley, Angewandte Chemie International Edition, 7(56), p. 1830-1834

DOI: 10.1002/anie.201611345

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Mononuclear Clusterfullerene Single-Molecule Magnet Containing Strained Fused-Pentagons Stabilized by a Nearly Linear Metal Cyanide Cluster

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Fused-pentagons results in an increase of local steric strain according to the isolated pentagon rule (IPR), and for all reported non-IPR clusterfullerenes multiple (two or three) metals are required to stabilize the strained fused-pentagons, making it difficult to access the single-atom properties. Herein, we report the syntheses and isolations of novel non-IPR mononuclear clusterfullerenes MNC@C76 (M=Tb, Y), in which one pair of strained fused-pentagon is stabilized by a mononuclear cluster. The molecular structures of MNC@C76 (M=Tb, Y) were determined unambiguously by single-crystal X-ray diffraction, featuring a non-IPR C2v(19138)-C76 cage entrapping a nearly linear MNC cluster, which is remarkably different from the triangular MNC cluster within the reported analogous clusterfullerenes based on IPR-obeying C82 cages. The TbNC@C76 molecule is found to be a field-induced singlemolecule magnet (SMM).