A unique benzimidazole-naphthalene hybrid molecule for independent detection of Zn²⁺ and N₃^- ions: Experimental and theoretical investigations

Single crystal X-ray structurally characterized benzimidazole-naphthalene hybrid (NABI) functions as a unique dual analyte sensor that can detect Zn²⁺ cation and N₃^- anion independently. The NABI forms chelate with Zn²⁺ to inhibit internal charge transfer (ICT) and CHN isomerisation resulting chelation enhanced fluorescence (CHEF). On the other hand, the sensing of N₃^- is based on formation of supramolecular H-bonded rigid assembly. The association constant of NABI for Zn²⁺ and N₃^- ions are 19 × 10⁴ M^-1 and 11 × 10² M^-1, respectively. Corresponding limit of detections (LOD) are 6.85 × 10^-8 and 1.82 × 10^-7 M, respectively. NABI efficiently detects intracellular Zn²⁺ and N₃^- ions with no cytotoxicity on J774A.1cells under fluorescence microscope. DFT studies unlock underlying spectroscopic properties of free NABI and Zn²⁺/N₃^- bound forms.