AI Article Synopsis
- The study investigates how parity violation (PV) influences the vibrational transitions in chiral uranium compounds (N≡UXYZ and N≡UHXY) using advanced relativistic calculations.
- The findings show that the PV effects in these uranium compounds are more significant than in previously studied chiral molecules, making them promising for experimental measurements of PV.
- A comparison between different uranium compounds indicates that the increased PV contributions are due to complex electronic structure effects, rather than just a straightforward scaling law.
Article Abstract
The effects of parity violation (PV) on the vibrational transitions of chiral uranium compounds of the type N≡UXYZ and N≡UHXY (X, Y, Z = F, Cl, Br, I) are analysed by means of exact two-component relativistic (X2C) Hartree-Fock and density functional calculations using NUFClI and NUHFI as representative examples. The PV contributions to the vibrational transitions were found to be in the Hz range, larger than for any of the earlier proposed chiral molecules. Thus, these systems are very promising candidates for future experimental PV measurements. A detailed comparison of the N≡UHFI and the N≡WHFI homologues reveals that subtle electronic structure effects, rather than exclusively a simple Z(5) scaling law, are the cause of the strong enhancement in PV contributions of the chiral uranium molecules.
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