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La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?



La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?



Inorganic Chemistry 55(7): 3302-3306



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.

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Accession: 058192505

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PMID: 27002381

DOI: 10.1021/acs.inorgchem.5b02414


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