J Am Chem Soc 2021 Jun 19;143(21):8078-8085. Epub 2021 May 19.
Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026, China.
Monometallic cyanide clusterfullerenes (CYCFs) represent a unique branch of endohedral clusterfullerenes with merely one metal atom encapsulated, offering a model system for elucidating structure-property correlation, while up to now only C and C cages have been isolated for the pristine CYCFs. C is one of the most abundant fullerenes and has 24 isomers obeying the isolated pentagon rule (IPR), among which 14 isomers have been already isolated, whereas the (17)-C isomer has lower relative energy than several isolated isomers but never been found for empty and endohedral fullerenes. Herein, four novel C-based pristine CYCFs with variable encapsulated metals and isomeric cages, including [email protected](13)-C (M = Y, Dy, Tb) and [email protected](17)-C, have been synthesized and isolated, fulfilling the first identification of the missing (17)-C isomer, which can be interconverted from the (13)-C isomer through two steps of Stone-Wales transformation. Read More