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

Juan J. Aucar; Alessandro Stroppa; Gustavo A. Aucar

doi:10.1021/acs.jpclett.3c03038

paper

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

arXiv:2603.01885 · doi:10.1021/acs.jpclett.3c03038

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 ( $Δ E_{P V}$ ), which might be the key to understand the evolution of the biological homochirality. We focus on the electronic chirality measure ( $E C M$ ), 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 E $_{P V}$ energies. Our results show a novel, strong and \textit{positive} correlation between $Δ E_{P V}$ and $E C M$ , 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 $E C M$ values as possible, and may support that a chiral signature is imprinted on life by fundamental physics via the parity-violating weak interactions.

References in corpus (1)

Electron Chirality in Amino Acid Molecules

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

Abstract

References in corpus (1)

Cited by in corpus (5)