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

AUCAR, IGNACIO AGUSTÍN; CHAMORRO, YULY; BORSCHEVSKY, ANASTASIA

Physical Review A

American Physical Society

Año: 2022 vol. 106 p. 62802 - 62802

2469-9926

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 nuclearspin-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.