Abstract
N-clusters have unique caged structures like C60 and are expected to be new energetic materials because they have only energetic N-N single bonds. Heats of formation of N-clusters calculated by the semi-empirical molecular orbital calculation were much higher than any other energetic materials. The heat of formation of N60 was 10.48MJ/mol. They all were vibrationaly stable, and N-N bond energies were larger than that of hydrazine, so N-clusters may exist stably. Specific impulse of the propellant added 40% of N60 was 306s compared to 273s of the ammonium perchlorate based propellant. N-clusters are possible to be a new energetic propellant ingredients.
