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

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Parity (physics) Electromagnetic shielding Molecule Tetrahedron Physics Spin (aerodynamics) Rotation (mathematics) Shielding effect Nuclear magnetic resonance Coupling constant Atomic physics Molecular physics Nuclear physics Particle physics Crystallography Chemistry Quantum mechanics Geometry Mathematics Thermodynamics

I. Agustín Aucar , Yuly Chamorro , Anastasia Borschevsky ·

YOU? · · 2022 · Open Access · · DOI: https://doi.org/10.1103/physreva.106.062802 · OA: W4310497354

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.