Hydrosulfide (HS ⁻ ) Recognition and Sensing in Water by Halogen Bonding Hosts

Hydrogen sulfide (H2S) plays a crucial signalling role in variety of physiological systems, existing as the hydrosulfide anion (HS−) at pH. Combining potency halogen bonding (XB) for recognition water with coumarin fluorophore incorporation acyclic host structural design, first XB receptors to bind and, more importantly, sense pure reversible chemosensing fashion are demonstrated. The exhibit characteristic selective quenching fluorescence upon binding HS−. Computational DFT and molecular dynamics simulations corroborate experimental observations, revealing mode nature HS− by receptors.