Synthesis and characterization of the mixed-ligand coordination polymer Cu3Cl(N4C-NO2)2

Abstract

Reduction of copper(ii) chloride using sodium ascorbate in the presence of pure sodium 5-nitro-tetrazolate (NaNT) forms copper(i) 5-nitrotetrazolate-a known initiatory explosive (DBX-1)-and the novel mixed-ligand copper(i) chloride 5-nitrotetrazolate coordination polymer Cu3Cl(N4C-NO2)2, as well as mixtures of both. The reaction is controlled by the presence of seed crystals and transition metal compounds other than CuCl2. Cu3Cl(N4C-NO2)2 is obtained as a wine-red, air stable, water-insoluble, crystalline and highly sensitive explosive material with a greater crystal density, lower thermal stability and a higher sensitivity toward hydrolysis and shock than DBX-1. Efforts to obtain the stable and pure starting material are improved by crystallisation of NaNT as a tetrahydrate. Cu3Cl(N4C-NO2)2 and Na(H2O)4(NT) were characterised by single crystal and powder XRD, IR spectroscopy, magnetic and thermal measaurements, elemental analysis, particle size measurements, mass spectrometry, and by drop weight testing. This journal is