Juan J. Aucar | Searcharxiv

arXiv2026

Parity violation effects in helical osmocene: theoretical analysis and experimental prospects

We present a computational investigation of the parity-violating (PV) contributions to the vibrational transitions and nuclear magnetic resonance shieldings of helical osmocene. A number of promising transitions within the spectral window of currently available sub-Hz metrology-grade lasers are identified, exhibiting high intensities and parity violation shifts of up to 7 Hz. We discuss the prospects for the synthesis of this compound and for subsequent ultra-precise mid-IR spectroscopy towards the first detection of parity violation in a chiral molecule.

physics.chem-ph↗

arXiv2026

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

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

physics.chem-ph↗