Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative

Abstract

Three metal–organic frameworks [CdL(DMF)]_n1, {[CuL(H₂O)(DMF)]·DMF·0.5H₂O}_n2, and [Nd(HL)L(DMF)₃]_n3 have been synthesized with a nitrobenzene derivative 4-((5-hydroxy-2,4-dinitrophenoxy)methyl)-3-nitrobenzoic acid (H₂L). Compound 1 has a dense three-dimensional framework with 1D Cd chains within the framework. Compound 2 features a chain structure which is further connected by π–π interactions and intermolecular hydrogen bonds to form a 3D network. Compound 3 is a lanthanide-based metal–organic framework which also features a 3D network. Compound 1 shows low sensitivity and high stability with an intense exothermic process at 295.1 °C. The constant-volume combustion energy and impact sensitivity were measured and the heat of detonation, detonation velocity, and detonation pressure were calculated for 1, which illustrate that 1 could be applied as a potential explosive. In addition, the non-isothermal kinetics for 1–3 was studied by Kissinger's and Ozawa–Doyle's methods. The apparent activation energies of 1–3 were 167.950 kJ mol⁻¹, 191.465 kJ mol⁻¹, 120.060 kJ mol⁻¹, respectively.