Synthesis and characterization of 2,2,2-trinitroethyl car-bamate and 2,2,2-trinitroethyl nitrocarbamate

摘要

2,2,2-Trinitroethyl carbamate (1) is prepared from 2,2,2-trinitroethyl chloroformate (2). Nitration of 1 with anhydrous nitric acid yielded 2,2,2-trinitroethyl nitrocarbamate (3) [1, 2]. 3 is a potential perchlorate-free high energetic dense oxidizer (HEDO) with a high oxygen balance of Q(CO_2) = +14.9 %. The characterization of 1 and 3 including multinu clear NMR spectroscopy, vibrational analysis (IR, Raman), mass spectroscopy as well as elemental analysis. The thermal stability is studied using differential scanning calorimeter and the energies of formation are calculated on the CBS-4M and other different levels of theory using Gaussian 09 Revision A.02 [3]. The heat of combustion is measured with static bomb combustion calorimeter. Furthermore, X-ray diffraction studies are performed and the crystal structures ofl and 3 are presented.