Chirality Modulation by The Environment Perturbation: Electric Field Effects on Chiral Properties

Abstract In the present study, the issue of chiral modulation and possible induction/suppression by external perturbations is specifically addressed, investigating the physical determinants involved in such processes. By modelling the electronic circular dichroism (ECD) spectra, the possible emergence of chirality in water molecules confined within the inner core of an enzyme is demonstrated. Similarly, upon reconstructing the ECD spectrum of (R)‐methyloxyrane in perfluorohexane, the corresponding spectral signal is decomposed into its excitation components showing how the action of perturbing fields, accessible under typical condensed phase conditions, can suppress chirality in geometrical‐topological chiral molecules. These results show that proper electric field perturbations can relevantly alter the chirality of a chromophore, even inducing/suppressing it in geometrical‐topological non‐chiral/chiral molecules.