An isomer of the endohedral metallofullerene Sc3N@C80 with D5h symmetry

Autor: Harry C. Dorn, Erick B. Iezzi, Aline Demortier, James C. Duchamp, Kerra R. Fletcher, T. E. Glass, Daniel Dorn
Rok vydání: 2003
Předmět:
Zdroj: Chemical Physics Letters. 375:655-659
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(03)00844-3
Popis: The discovery of a new isomer of the endohedral metallofullerene Sc3N@C80 is reported. 13C labeled (∼9%) Sc3N@C80 has been synthesized and has been characterized by HPLC, mass spectroscopy and 13C NMR data. The 13C NMR spectrum shows six peaks with a 1:2:2:1:1:1 ratio that are assigned to the D5h isomer. The results of theoretical calculations are also reported for the Ih and D5h isomers of Sc3N@C80.
Databáze: OpenAIRE