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

Inorg Chem. 2016 Apr 4;55(7):3302-6. doi: 10.1021/acs.inorgchem.5b02414. Epub 2016 Mar 22.

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.

Publication types

  • Research Support, Non-U.S. Gov't