B3LYP, G2, G3, and complete basis set calculations of the thermodynamic properties of small cyclic and chain hydroboranes

As a follow-up to our three previous studies on high energy molecules, small cyclic and chain hydroboranes were considered; for this study, “small” is defined as three-membered boron rings, and two- and three- membered boron chains. Our results indicate that these molecules give off between 77 and 165 kJ/g of energy when combusted with oxygen. This makes them the most energetic molecules we have studied to date.