English

A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure

Chemical Physics 2026-03-03 v1 Materials Science

Abstract

When the weak-forces producing parity-violating effects are taken into account, there is a tiny energy difference between the total electronic energies of two enantiomers (ΔEPV\Delta E_{PV}), which might be the key to understand the evolution of the biological homochirality. We focus on the electronic chirality measure (ECMECM), a powerful descriptor based on the electronic charge density, for quantifying the chirality degree of a molecule, for a representative set of chiral molecules, together with their EPV_{PV} energies. Our results show a novel, strong and \textit{positive} correlation between ΔEPV\Delta E_{PV} and ECMECM, supporting a subtle interplay between the weak-forces acting within the nuclei of a given molecule and its chirality. These findings suggest that experimental investigations for molecular parity violation detection should consider molecules with as large ECMECM values as possible, and may support that a chiral signature is imprinted on life by fundamental physics via the parity-violating weak interactions.

Keywords

Cite

@article{arxiv.2603.01885,
  title  = {A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure},
  author = {Juan J. Aucar and Alessandro Stroppa and Gustavo A. Aucar},
  journal= {arXiv preprint arXiv:2603.01885},
  year   = {2026}
}