Crystal structure, thermal decomposition and properties of cesium 3,5-dihydroxy-2,4,6-trinitrophenolate

A coordination polymer, cesium 3,5-dihydroxy-2,4,6-trinitrophenolate ([Cs(DHTNP)]_n), has been synthesized and its crystal structure determined. This crystal belongs to the monoclinic system with space group P_c. Each Cs⁺ is coordinated to 12 oxygen atoms from 8 different 3,5-dihydroxy-2,4,6-trinitrophenolate (DHTNP^-) anions, and each DHTNP^- anion is coordinated with 8 Cs⁺ cations. The oxygen atoms of the phenolic hydroxyl group and from all of the nitro groups of the DHTNP^- anion simultaneously bind to neighboring Cs⁺ ions. These DHTNP^- molecular chains are interlaced, with the cesium atoms acting as knots, to create an infinite three-dimensional network structure. The molecules are linked by electrostatic interactions and weak van der Waals forces and also display intramolecular hydrogen bonding, which all enhance the thermal stability of the title compound. The thermal decomposition was studied using DSC, TG-DTG and IR techniques. The results exhibit characteristics of a highly energetic compound that undergoes two highly exothermic decomposition reaction processes from 166°C to 300°C under the condition of a linear heating rate. The experimental sensitivity results indicate that [Cs(DHTNP)]_n is quite sensitive to impact and friction.