Introduction of 1,5-Diazabicyclo [3.1.0] Hexane and its Derivatives as Novel Hypergolic Liquid Fuels

1,5-Diazabicyclo[3.1.0]hexane (DABH) is aunusual and highly energetic derivative of diaziridine, because cis-diaziridines are thermodynamicallyless stable than the trans-isomers. Therefore, the investigation on DABH molecule has practical importance besides fundamental research. Three possible conformations of DABH were considered: boat, chair, and twist.According to the reports, DABH exists asboat conformation. The natural bond orbital (NBO) analysis has used for identification the most important stabilization factor in the boat conformation. DABH and its derivatives were found as promising liquid hypergolic compounds. The ignition delay time of DABH with nitrogen tetroxide is1 ms, and the ignition delay times of other alkyl substituted DABHCs are4−11 ms, which indicated the promising application of DABHCs as hypergolic propellants. In thisstudy, structure, molecular properties and also the synthesis process of 1,5-diazabicyclo [3.1.0] hexane and its derivatives are presented.