Marked Influence of the Nature of the Chemical Bond on CP-Violating Signature in Molecular Ions HBr+ and HI+

Abstract
Heavy polar molecules offer a great sensitivity to the electron electric dipole moment (EDM). To guide emerging searches for EDMs with molecular ions, we estimate the EDM-induced energy corrections for hydrogen halide ions HBr+ and HI+ in their respective ground XΠ3/22 states. We find that the energy corrections due to EDM for the two ions differ by an unexpectedly large factor of 15. We demonstrate that a major part of this enhancement is due to a dissimilarity in the nature of the chemical bond for the two ions: the bond that is nearly of ionic character in HBr+ exhibits predominantly a covalent nature in HI+. We conclude that because of this enhancement the HI+ ion may be a potentially competitive candidate for the EDM search.