(Invited) Non-IPR Monometallic Clusterfullerenes Entrapping a Nearly Linear Metal Cyanide Cluster

Monday, 29 May 2017: 14:20
Churchill A2 (Hilton New Orleans Riverside)
S. Yang (University of Science and Technology of China)
Fused-pentagon is known to result 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. In this talk, we present the syntheses and isolations of novel non-IPR monometallic clusterfullerenes MNC@C76 (M=Tb, Y), in which one pair of strained fused-pentagon is stabilized by a monometallic 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. In specific, TbNC@C76 molecule is found to be a field-induced single-molecule magnet (SMM).