The π-electron delocalization of phenol-fluoride system in explicit solvent conditions

► Fluoride induction on phenol aromaticity in explicit water model was used. ► PCA identified the most representative set of orthogonal aromaticity indices. ► Induction effect of fluoride and first hydration layer influences were separated. ► Corresponding sets of distinct indices quantified independently these two factors. ► Aromaticity multidimensionality is responsible for such dual response to environment.