Aminonitronaphthalenes as Possible High Energy Density Materials
Central European Journal of Energetic Materials
As part of a series of studies evaluating the thermodynamic properties of new potential high energy materials, a series of calculations was performed on a variety of naphthalene molecules having amino and nitro groups. Calculations on seven aminonitronaphthalene molecules were performed, determining their minimum-energy geometries, vibrational frequencies, and energies. Enthalpies of formation were determined using atomization reactions, and subsequently enthalpies of combustion or decomposition were determined. Specific enthalpies of decomposition ranged from 4.1-4.8 kJ/g, while specific enthalpies of combustion ranged more widely, from 13 to almost 21 kJ/g. Some detonation properties of some of the derivatives rival those of current HEDMs.
Murawski, R. J.; Ball, D. W. Aminonitronaphthalenes as Possible High Energy Density Materials. Cent. Eur. J. Energ. Mater. 2015, 12(1), 3-12.