Large fullerenes stabilized by encapsulation of metallic clusters.
Structures are proposed for six endohedral metallofullerenes with large carbon cages (from C(92) to C(100)) on the basis of sizeable (LUMO-4)-(LUMO-3) gap and the formal transfer of six electrons to the cages.
Valencia
Ramón
R
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, 43007 Tarragona, Spain.
Rodríguez-Fortea
Antonio
A
Poblet
Josep M
JM
D037741:Fullerenes / Q000737:chemistry*; D007536:Isomerism; D008670:Metals / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
D037741:Fullerenes; D008670:Metals