Parity-violating contributions to nuclear spin-rotation interactions and to NMR shielding constants in tetrahedral molecules

I. Agustín Aucar*, Yuly Chamorro, Anastasia Borschevsky

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

2 Citations (Scopus)
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Abstract

In natural processes involving weak interactions, a violation of spatial parity conservation should appear. Although the parity-violation effects are expected to be observable in molecular systems, their tiny magnitude has prevented their detection to date. We present a theoretical analysis of four-component relativistic nuclear-spin-dependent parity-violating nuclear spin-rotation and NMR shielding tensors in a set of tetrahedral chiral molecules. This work emphasizes the significant contribution of the ligands and the electronic structure of the chiral center in enhancing these effects, paving the way for the targeted design of promising molecules for measurements.

Original languageEnglish
Article number062802
Number of pages11
JournalPhysical Review A
Volume106
Issue number6
DOIs
Publication statusPublished - 1-Dec-2022

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