Crystal structures and the enthalpy changes of liquid-phase reaction of two energetic zinc (II) complexes based on 5,5′-azoterazolate and two chelated co-ligands

Publication date: 5 November 2018
Source:Journal of Molecular Structure, Volume 1171
Author(s): Baojuan Jiao, Yixia Ren, Weitao Wang
Two new energetic zinc(II) complexes, formulated as [Zn(ATZ)(bpy)]·H2O (1) and [Zn2(ATZ) (phen)4(H2O)2]·ATZ·6H2O(2), were synthesized based on 5,5′-azotetrazolate (ATZ) with high nitrogen content and the chelate co-ligands of 2,2′-bipydine (bpy) and o-phenanthroline (phen). Single-crystal structure analyses show that complex 1 crystallizes in the orthorhombic crystal system and I41cd space group featuring porous double-helixes, while complex 2 is a discrete structure in triclinic crystal system and P-1 space group. It reveals that 2,2′-bipydine is superior to construct three-dimensional framework and o-phenanthroline is better for the supermolecule construction with intermolecular forces. The enthalpy changes of liquid-phase reaction were determined with the technique of microcalorimetry, which were −185.072 ± 0.048 kJ mol⁻¹ for complex 1 and -230.285 ± 0.065 kJ mol⁻¹ for 2. The luminescence properties in aqueous solution were also employed for these complexes.

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