5-Nitroaminotetrazole as a building block for extended network structures: Syntheses and crystal structures of a number of heavy metal derivatives

The lead, mercury, copper and silver derivatives of 5-nitroaminotetrazole (5-H2NATZ) were obtained by the reaction between the metal nitrate and potassium 5-nitroaminotetrazolate. The lead and mercury complexes were crystallized and characterized by single crystal X-ray diffraction. The lead complex has a polymeric structure formed by (PbO2)n chains and anions of 5-NATZ, where each lead atom is surrounded by ten oxygen atoms. The mercury salt is constructed from neutral (Hg–NATZ)n chains, where the mercury atom has a linear coordination. The influence of chemical hardness and charge distribution on the reactivity and coordination properties of 5-NATZ was estimated based on density functional calculations. The thermal stability of the salts was also studied.

Two extended network structures with the formulas [Pb(CHN6O2)2(H2O)4]n and [Hg(CN6O2)(H2O)2]n were obtained from 5-nitroaminotetrazole, both complexes were characterized by X-ray crystallography. The influence of chemical hardness and charge distribution on the reactivity and coordination properties of 5-nitroaminotetrazole have been estimated based on density functional calculations.Figure optionsDownload as PowerPoint slide