Triazole-Bridged Zinc Dinuclear Complexes: Mechanochemical Synthesis, Crystal Structure, and Biological Activity

Abstract

Two zinc (Zn) complexes, [Zn2(DAT)2Cl4] (I) and [Zn2(DAT)2(NO3)4] (II), were prepared by grinding 3,5-diamino-1,2,4-triazole (C2H5N5, DAT) with Zn precursors such as ZnCl2 and Zn(NO3)2, respectively. This solid-state reaction gives the corresponding Zn complex as the sole product in over 99% yield. This mechanochemical method promotes the selective formation of Zn complexes different from those obtained using the conventional solution-based route. The crystal structures of the two complexes were analyzed by single-crystal X-ray diffraction. Complex (I) crystallizes in the monoclinic space group P21/c, whereas complex (II) crystallizes in the triclinic space group P 1̅. Each complex is characterized by the presence of a characteristic DAT-bridged dimer with one DAT ligand per Zn atom, and the DAT ligand provides a bridge between the two Zn metals. All Zn centers of (I) and (II) adopted a slightly distorted tetrahedral geometry. Both complexes contain a hexanuclear Zn2N4 ring, but their ring structures are different. Complex (I) possesses a boat geometry, while complex (II) has a nearly planar structure. The Zn-bound chlorides of complex (I) form intermolecular N–H···Cl hydrogen bonds that link neighboring molecules. In complex (II), the O atoms in the nitrate groups are hydrogen-bonded to the DAT ligand via O···H–N linkages. Both complexes exhibit blue emissions in the solid state at ambient temperature. They were evaluated as anticancer agents in HeLa, NCCIT, and MCF-7 cancer cell lines, exhibiting promising anticancer activities.

Entropy Engineering toward Positive Temperature Coefficient and Large Voltage in High-Temperature Zinc-Ion Batteries

“…In our investigation of the interaction between Guanazole (3,5-diamino-1,2,4-triazole) and Zn 2+ , we employed density functional theory (DFT) calculations. − The molecular dynamics simulation, as depicted in Figure a, reveals that most Zn 2+ ions are tetrahedrally coordinated with an O atom and three N atoms of Guanazole. A noteworthy feature is the formation of a triligand-bridged dimer structure, Zn 2 (daTZ) 3 (SO 4 ) 2 , with Zn 2+ ions linked through two nitrogen atoms on a cyclic structure, as highlighted (the red circles in Figure a).…”

A chemically robust amine-grafted Zn(ii)-based smart supramolecular gel as a regenerative platform for trace discrimination of nitro-antibiotics and assorted environmental toxins

“…The PXRD pattern of ZnXero is also in good agreement with those of similar Zn-triazole systems reported in the literature. 33,34 Mass spectral data expressed that the coordination ratio is 2 : 3 (Zn 2+ : DAT) for the gel and suggested that a dimeric Zn 2+ unit bridged by three triazole rings forms the core structure of the gel, along with three acetate counter ions i.e. one bridging and two terminal acetates.…”