Liangwei Shi, Menglong Yu, Yazhu Zhang, Guangming Qin, Jian Lü and Prof. Dr. Gang Zhao
Investigation of the effect of metallic ions on the nitrolysis of [3,7-diacetyl-1,3,5,7-tetraazabicyclo(3.3.1)nonane] (DAPT) and hexamine (HA) is useful and helpful to the synthesis of RDX and HMX. The combinatorial reagent, M(NO−3)n Ac2O/NH4NO3 (M=Mg2+, Cu2+, Pb2+, Bi3+, Fe3+ and Zr4+), was found to be efficient in experiment of the nitrolysis of DAPT. Some discrepant results in these nitrolysis reactions catalyzed by different metallic nitrates can be explained reasonably based on hard-soft and acid-base principle and stabilized energy of metallic Lewis salts with corresponding anions, such as NO−3, (CF3SO2)2N−, and (C4F9SO2)2N−. The metallic Lewis acids with high polarizable anions improve not only the yield of the nitrolysis of HA or DAPT but also the ratio of HMX.