Synthesis, crystal structure, and thermodynamics of a high-nitrogen copper complex with N, N-bis-(1(2)H-tetrazol-5-yl) amine

Abstract

A new high-nitrogen complex [Cu(Hbta)₂]·4H₂O (H₂bta = N,N-bis-(1(2)H-tetrazol-5-yl) amine) was synthesized and characterized by elemental analysis, single crystal X-ray diffraction and thermogravimetric analyses. X-ray structural analyses revealed that the crystal was monoclinic, space group P2(1)/c with lattice parameters a = 14.695(3) Å, b = 6.975(2) Å, c = 18.807(3) Å, β = 126.603(1)°, Z = 4, D _c = 1.888 g cm⁻³, and F(000) = 892. The complex exhibits a 3D supermolecular structure which is built up from 1D zigzag chains. The enthalpy change of the reaction of formation for the complex was determined by an RD496–III microcalorimeter at 25 °C with the value of −47.905 ± 0.021 kJ mol⁻¹. In addition, the thermodynamics of the reaction of formation of the complex was investigated and the fundamental parameters k, E, n, $\Updelta S_{ \ne }^{{{\uptheta}}}$, $\Updelta H_{ \ne }^{{{\uptheta}}}$, and $\Updelta G_{ \ne }^{{{\uptheta}}}$ were obtained. The effects of the complex on the thermal decomposition behaviors of the main component of solid propellant (HMX and RDX) indicated that the complex possessed good performance for HMX and RDX.