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Article
Enthalpies of Formation of Nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60
Journal of Molecular Structure - THEOCHEM
  • Ryan M. Richard, Cleveland State University
  • David W. Ball, Cleveland State University
Document Type
Article
Publication Date
6-15-2008
Disciplines
Abstract

As with polynitrocubanes, new high-energy materials will be the likely result of bonding multiple nitro groups to a buckminsterfullerene (C60) backbone. Here, we present a series of semi-empirical calculations on nitrofullerenes of varying nitro content. Enough nitrofullerene molecules were calculated to allow an extrapolation to pernitrobuckminsterfullerene, or C60(NO2)60.

DOI
10.1016/j.theochem.2008.02.030
Citation Information
Richard, R. M.; Ball, D. W. Enthalpies of formation of nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60. Journal of Molecular Structure: THEOCHEM 2008, 858, 85-87.