Synthesis, supramolecular complexation and DFTstudies of a bis(pyrene)-appended ‘capped’ triazole-linked calix[4]arene as Zn²⁺ and Cd²⁺ fluorescent chemosensors

A new bimodal triazole-bridged pyrene-appended calix[4]arene <b>2g</b> has been synthesised and characterised and complexation studies showed that the binding of Cd²⁺ and Zn²⁺ occurs as demonstrated by enhanced monomer and declining excimer emission fluorescence spectral changes. With several other metal ions, quenching of both monomer and excimer emissions occurred. The observed monomer formation in the fluorescence spectra seen with Zn²⁺ and Cd²⁺ is possibly linked not just to the diminished parallel orientations of the pyrene rings but with the magnitude of the resulting HOMO-LUMO gaps and other parameters measured by DFT calculations.