چكيده به لاتين
stract:
High density energy materials, including propellants due to their explosive properties have recently been very well considered for various purposes. In order to minimize some of the insecurities of them, new technologies should be used to identify them. Recently, many countries often utilize polymers, organic compounds and rarely in some advanced countries, use certain biocompatible compounds that have a charge/electron transfer potential through their wide π-system and apply as a sensor of high density energy materials.
In this study, for the first time, specific porphyrins as an inorganic compounds were used to identify high-energy CHNO materials. The explosive performance and high immunity of energetic materials and optical sensitivity of porphyrins were effective in the selection and investigation of interaction of them. Therefore, several models have been developed for the important properties (i.e. solid state density which is one of the significant parameters in the energetic materials performance) of molecular crystals containing elements C, H, N and O. Also the optical sensitivity of porphyrins, was modeled. Among the porphyrins that utilizing for the interaction by 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), the three compounds 6, 17 and 18 were formed a hydrogen bond between the carboxylic hydrogen and the oxygen of nitro group after the interaction. Similarly, compounds 2, 4, 8, 10 and 16 have the pπ-pπ interaction while which is very important.
Keywords: Porphyrin, energetic materials, interactions.
