Crystal Structure and Thermal Decomposition Mechanism of [K（DNP）（H2O）0.5]n

Introduction As developing high-energy, low toxicity and envi-ronment friendly primary explosive has been becoming a new and important investigation field, much attention has been paid to nitrogen-rich potassium coordination compounds for the sake of their low toxicity and little pollutions.1-11 In order to make good use of potassium compounds, the reaction of 2,4-dinitrophenol (DNP) and potassium hydroxide was designed, and the title compound potassium 2,4-dinitrophenate (KDNP) was obtained…

Crystal Structure and Thermal Decomposition Mechanism of [K(DNP)(H_2O)_(0.5)]n

The new coordination polymer, K(DNP)(H₂O)_0.5]_n(DNP=2, 4‐dinitrophenol) was prepared by the reaction of 2,4‐dinitrophenol with potassium hydroxide. The molecular structure was determined by X‐ray single‐crystal diffraction analysis, FT‐IR techniques, and elemental analysis. The crystal is monoclinic, space group C(2)/c with the empirical formula of C₆N₂O_5.5K, M_r=231.21. The unit cell parameters are as follows: a=2.0789(3) nm, b= 1.2311(2) nm. c=0.7203(1) nm. β=109.611(15)°, V=1.7366(4) nm³, Z=4. 0, = 1.769 g/cm3, F(000)=936, μ (Mo Kα) =0.617 mm^?1. The potassium ions coordinate with all the oxygen atoms of phenolic hydroxyl group and nitro‐group of different 2,4‐dinitrophenol (DNP) ligands with high coordination number, and form a god cross‐linked three‐dimensional net structure of which makes the complex with god stabilities. The thermal decomposition of K(DNP)(H₂O)_0.5]_n has only an intense exothermic process in the temperature range of 338–343 °C corresponding to a mass loss of 75.029s. The final decomposition residue is potassium isocyanide.