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

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 C_2v (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 single-molecule magnet (SMM).

SUBMITTER: Liu F 

PROVIDER: S-EPMC5295638 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature