1,1,3,3-TETRAMETHYL-2-NITROGUANIDINE: STRUCTURE AND THERMAL DECOMPOSITION

摘要

The structure of 1,1,3,3-teramethylnitroguanidine is investigated through semi-empirical and ab initio calculations, and compared with the X-ray analysis data. The volumetric methyl groups prove to affect forming planar molecular conformation. Kinetics of thermal decomposition is investigated under isothermal conditions using manometric method in melt and solutions. Products of decomposition are studied by mass-spectrometric method. Decomposition is described with the first-order kinetic equation. Decomposition results in quantitative formation of 1,1,3,3-tetramethylurea and nitrous oxide. We have also established that decomposition proceeds through the four-membered cycle transition state.