Effect of Molecular Structure of Double-core Ferrocene Derivative(DFD) on Impact Sensitivity of Superfine-AP/DFD Binary System

The reaction characteristics between double-core ferrocene derivative（DFD）and superfine-ammonium perchlorate（AP）were analyzed from the molecular structure of DFD.The structure-property relationship between molecular structure characteristics of DFD and the impact sensitivity of superfine AP/DFD binary system was investigated.The characteristic parameters of the DFD molecule used to analyze the reactivity between AP and DFD were found.The results show that the impact sensitivity of superfine AP/DFD binary system is directly related with the electrostatic potential of negative ferrocenyl of DFD and the average binding energy between NH 4 + and DFD.Due to the differences in molecular structure of DFD,the correlation between two parameters of DFD group of bridging groups as methylene and DFD group with symmetry of molecular structure and the impact sensitivity of ultrafine AP/DFD binary system is different.For the DFD of bridge group as methylene,the lower the electrostatic potential of negative ferrocenyl of DFD,and the greater the average binding energy between NH 4 + and DFD,the higher the impact sensitivity of superfine-AP/DFD mixture.For the DFD with symmetric structure,the lower the electrostatic potential of negative ferrocenyl of DFD and the average binding energy between NH 4 + and DFD,and the greater the molecular frontier orbital energy of DFD,the higher the impact sensitivity of superfine-AP/DFD mixture.