Linking structure, reactivity, and function in a multifunctional zinc bromide hybrid material: application to...

In this work, a new zinc bromide hybrid compound, [ZnBr₃(κN-C₆H₉N₂)] (AMPZnBr), based on 2-aminomethylpyridine (AMP), was synthesized using the Schlenk technique and comprehensively characterized by single-crystal X-ray diffraction, spectroscopic analyses, and density functional theory (DFT) calculations. The crystal structure reveals a distorted tetrahedral Zn(ii) coordination environment comprising one nitrogen atom and three bromide ligands. The supramolecular architecture is stabilized by N-H⋯Br hydrogen bonds and π-π interactions, generating a one-dimensional network. DFT calculations reproduce the experimental geometry and provide insight into the electronic features governing the compound's reactivity. These structural and electronic characteristics are reflected in the functional properties of AMPZnBr. The compound exhibits significant antimicrobial activity, with minimum inhibitory concentration (MIC) values ranging from 2.86 to 23 µg mL^-1, and inhibits biofilm formation by approximately 56% against Staphylococcus aureus and Enterococcus faecalis. In addition, AMPZnBr shows moderate UV-screening performance, with SPF values ranging from 5 to 10. Electrochemical investigations demonstrate sensitive detection of bisphenol A (BPA), achieving a low detection limit of 0.025 µM and recovery values of 98-104% in real food samples. By correlating the crystal structure and electronic properties with the observed biological and electrochemical performance, this work demonstrates the multifunctional character of AMPZnBr and provides valuable insights for the design of zinc bromide-based hybrid materials for sensing and antimicrobial applications.