title: La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?
abstract: Different structures have been proposed so far for the C92 isomer that encapsulates M3N (M = La, Ce, Pr). We show here that the electrochemical properties of the predicted most abundant (thermodynamic) isomer for La3N@C92 does not agree with experiment. After a systematic search within the huge number of possible C92 isomers, we propose other candidates with larger electrochemical gaps for La3N@C92 before its structure could be finally determined by X-ray crystallography. We do not discard that the thermodynamic isomer could be detected in future experiments though.
authors.affiliation: Departament de Quı́mica Fı́sica i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
authors.forename: Laura
authors.initials: L
authors.lastname: Abella
authors.affiliation: Departament de Quı́mica Fı́sica i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
authors.forename: Marc
authors.initials: M
authors.lastname: Mulet-Gas
authors.affiliation: Departament de Quı́mica Fı́sica i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
authors.forename: Antonio
authors.initials: A
authors.lastname: Rodríguez-Fortea
authors.affiliation: Departament de Quı́mica Fı́sica i Inorgànica, Universitat Rovira i Virgili , C/Marcel·lí Domingo 1, 43007 Tarragona, Spain.
authors.forename: Josep M
authors.initials: JM
authors.lastname: Poblet