Zigzag Sc2C2Carbide Cluster inside a [88]Fullerene Cage with One Heptagon, Sc2C2@Cs(hept)-C88: A Kinetically Trapped Fullerene Formed by C2Insertion?
A non-isolated pentagon rule metallic carbide clusterfullerene containing a heptagonal ring, Sc2C2@Cs(hept)-C88, was isolated from the raw soot obtained by electric arc vaporization of graphite rods packed with Sc2O3and graphite powder under a helium atmosphere. The Sc2C2@Cs(hept)-C88was purified by multistage high-performance liquid chromatography (HPLC), cocrystallized with Ni-(octaethylporphyrin), and characterized by single-crystal X-ray diffraction. The diffraction data revealed a zigzag Sc2C2unit inside an unprecedented Cs(hept)-C88carbon cage containing 13 pentagons, 32 hexagons, and 1 heptagon. Calculations suggest that the observed nonclassical fullerene could be a kinetically trapped species derived from the recently reported Sc2C2@C2v(9)-C86via a direct C2insertion.
Department of Chemistry, University of Texas at El Paso , El Paso, Texas 79968, United States.
Chia-Hsiang
CH
Chen
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
Laura
L
Abella
Department of Chemistry, University of Texas at El Paso , El Paso, Texas 79968, United States.
Maira R
MR
Cerón
Department of Chemistry, University of Texas at El Paso , El Paso, Texas 79968, United States.
Miguel A
MA
Guerrero-Ayala
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
Antonio
A
Rodríguez-Fortea
Department of Chemistry, University of California at Davis , One Shields Avenue, Davis, California 95616, United States.
Marilyn M
MM
Olmstead
Department of Chemistry, University of California at Davis , One Shields Avenue, Davis, California 95616, United States.
Xian B
XB
Powers
Department of Chemistry, University of California at Davis , One Shields Avenue, Davis, California 95616, United States.
Alan L
AL
Balch
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
Josep M
JM
Poblet
Department of Chemistry, University of Texas at El Paso , El Paso, Texas 79968, United States.
Luis
L
Echegoyen