Abstract
A new cocrystal of the Zn(II) coordination molecule and the benzimidazole (bim), [Zn(bim)(SCN)3]-[Hbim] (C10H6N5S3Zn-C7H7N2, cocrystal 1) was directly synthesized at room temperature. X-ray single crystal diffraction analysis showed that cocrystal 1 is extended into a 3D supramolecular network via hydrogen bonding and π⋅⋅⋅π stacking interactions. Information on non-covalent interactions were gathered by calculating the Hirshfeld surface and fingerprint of the crystal stacking of cocrystal 1. Photoluminescence experiments demonstrated that cocrystal 1 not only possessed good solid-state fluorescence performance but also favorable fluorescence characteristics and stability in aqueous solutions. Notably, cocrystal 1 exhibited excellent anti-interference properties, high sensitivity, high fluorescence enhancement, and low limit of detection (LOD: 59.8 μM) against triethylamine (TEA) in aqueous medium via the “Turn-On” effect. In addition, the antimicrobial properties of the cocrystal were investigated. The results of antimicrobial experiments revealed that cocrystal 1 inhibited Escherichia coli (E. coli) and Methicillin-resistant Staphylococcus aureus (MRSA). Molecular docking analysis unraveled the mode of interaction with DNA in bacteria. Cocrystal 1 is a potential multifunctional material for the preparation of TEA sensors and antimicrobial agents. Finally, the possible enhancing mechanism and potential antimicrobial mechanism were researched.
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