Issue 32, 2014

Strong enhancement of parity violation effects in chiral uranium compounds

Abstract

The effects of parity violation (PV) on the vibrational transitions of chiral uranium compounds of the type N[triple bond, length as m-dash]UXYZ and N[triple bond, length as m-dash]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[triple bond, length as m-dash]UHFI and the N[triple bond, length as m-dash]WHFI homologues reveals that subtle electronic structure effects, rather than exclusively a simple Z5 scaling law, are the cause of the strong enhancement in PV contributions of the chiral uranium molecules.

Graphical abstract: Strong enhancement of parity violation effects in chiral uranium compounds

Associated articles

Article information

Article type
Paper
Submitted
02 May 2014
Accepted
26 Jun 2014
First published
27 Jun 2014

Phys. Chem. Chem. Phys., 2014,16, 17043-17051

Author version available

Strong enhancement of parity violation effects in chiral uranium compounds

M. Wormit, M. Olejniczak, A. Deppenmeier, A. Borschevsky, T. Saue and P. Schwerdtfeger, Phys. Chem. Chem. Phys., 2014, 16, 17043 DOI: 10.1039/C4CP01904K

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