추진제 성형에 쓰이는 isophorone diisocyanate의 구조와 반응성을 EHT, DNDO/2 및 STO-3G 방법으로 고찰하였다. 반응성은 -NCO기의 탄소원자의 양전하로 결정되며, 이 화합물의 구조는 반응성이 느리고 균일한 matrix 성형이 이루어지도록 되어 있는 것을 알았다
The structure and reactivity of isophorone diisocyanate, which is used as a curing agent in propellants casting, were investigated using the EHT, CNDO/2 and STO-3G MO methods. The results showed that the reactivity can be assessed by the positive charge on C atom of -NCO group. The structure of this compound was found to be such that it has slow polymerization rate but provides homogenous matrix for explosives
