G2, G3, and Complete Basis Set Calculations of the Thermodynamic Properties of Aminoborane, Diaminoborane, and Triaminoborane
Journal of Molecular Structure - THEOCHEM
Following our recent studies on cyclic boron compounds potential use as high energy materials, we calculate various properties of aminoborane, diaminoborane, and triaminoborane. Calculated properties include optimized geometries, enthalpies of formation, enthalpies of combustion, proton affinity, and hydride affinity. Of the three molecules studied, aminoborane represents the best candidate for a new high energy material at about 38.6 kJ of energy given off for every 1 g of aminoborane combusted.
Richard, R. M.; Ball, D. W. G2, G3, and complete basis set calculations of the thermodynamic properties of aminoborane, diaminoborane, and triaminoborane. Journal of Molecular Structure: THEOCHEM 2007, 823, 6-15.