Supramolecular activation and detection of nerve agent surrogates by bis-pyridinium calix[4]pyrrole derivative

Abstract

A bis-pyridinium calix[4]pyrrole derivative has been synthesized and investigated for its supramolecular interactions with nerve agent surrogates. The receptor promotes the degradation of organophosphorus nerve agent surrogates by facilitating the release of fluoride and cyanide leaving groups. The released anions are subsequently detected via fluorescence response, enabling dual functionality in degradation and sensing. The binding interactions and mechanistic insights were elucidated through NMR spectroscopy, fluorescence titration, and computational studies, confirming the receptor’s role in modulating leaving group dissociation. These findings contribute to the development of supramolecular strategies for chemical defence and environmental detoxification.

Graphical abstract

A bis-pyridinium calix[4]pyrrole derivative promotes the degradation of organophosphorus nerve agent surrogates by facilitating the release of fluoride and cyanide leaving groups. The released anions are subsequently detected via fluorescence response, enabling dual functionality in degradation and sensing. This supramolecular approach provides insights into molecular recognition and chemical detoxification strategies.