Enthalpies of Formation of Nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60
Journal of Molecular Structure - THEOCHEM
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.
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.