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Issue 32, 2014
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Strong enhancement of parity violation effects in chiral uranium compounds

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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

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Publication details

The article was received on 02 May 2014, accepted on 26 Jun 2014 and first published on 27 Jun 2014


Article type: Paper
DOI: 10.1039/C4CP01904K
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Citation: Phys. Chem. Chem. Phys., 2014,16, 17043-17051
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    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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