Journal
PHYSICAL REVIEW A
Volume 106, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.106.062802
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Funding
- EC [INFRAIA-2016-1-730897]
- University of Groningen
- FONCYT [PICT-2016-2936, PICT-2020-SerieA-00052]
- Institute for Modeling and Innovation in Technologies
- University of Groningen's Center for Information Technology
- SURF [EINF-3247]
- Dutch Research Council [VI.Vidi.192.088]
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The paper presents a theoretical analysis of relativistic nuclear-spin-dependent parity-violating nuclear spin-rotation and NMR shielding tensors in tetrahedral chiral molecules. It emphasizes the significant contribution of ligands and the electronic structure of the chiral center in enhancing these effects, paving the way for targeted design of promising molecules for measurements.
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.
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