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CONICET Digital
Article . 2023
License: CC BY NC ND
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The Journal of Physical Chemistry Letters
Article . 2023 . Peer-reviewed
License: STM Policy #29
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A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure

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

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

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), which might be the key to understanding 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, in a representative set of chiral molecules, together with their EPV energies. Our results show a novel, strong, and positive correlation between ΔEPV 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 ECM values as large as possible and may support that a chiral signature is imprinted on life by fundamental physics via the parity-violating weak interactions.

Keywords

CHIRALITY, MOLECULES, CHEMICAL CALCULATIONS, PHOTOVOLTAICS, PARITY VIOLATION, https://purl.org/becyt/ford/1.3, chirality, EXTRACELLULAR MATRIX, https://purl.org/becyt/ford/1

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
7
Top 10%
Average
Top 10%
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