New Molecular Salts from Chloronitroaromatic Compounds, 1,3-Disubstituted pyrimidine-2,4,6(1H,3H,5H)-trione and Amines: Synthesis, Characterization, Thermal Behavior and Crystal Structure

Abstract

New molecular salts have been synthesized from chloronitroaromatic compounds, 1,3-disubstituted pyrimidine-2,4,6(1H,3H,5H)-trione and amines. Structures of these molecular salts have been established by elemental analysis and spectroscopic techniques (UV–Vis, FT-IR, ¹H NMR and ¹³C NMR). The structures of all these molecular salts have also been ascertained through single crystal X-ray diffraction studies. They crystallize either in the monoclinic or triclinic system. A number of O–H⋯O, N–H⋯O and C–H⋯O hydrogen bonds stabilize the crystal lattice. Disorder has been observed in the cation moiety of these molecular salts. TGA/DTA studies of these molecular salts have also been undertaken at four different heating rates (5, 10, 20 and 40 K/min) and energy of activation has been determined by employing Ozawa and Kissinger plots. Impact sensitivity test and activation energies imply that the synthesized molecular salts are insensitive high energy density materials.

Graphical Abstract

Essence of the paper: The article focuses on the formation of new molecular salts with good thermal stability which may be used as the insensitive high energy density materials (IHEDMS).

A figure of the most important structure: