Towards detection of molecular parity violation via chiral co-sensing: the 1H/31P model system

被引:0
作者
Van Dyke, Erik [1 ,2 ,3 ]
Eills, James [4 ]
Sheberstov, Kirill [5 ]
Blanchard, John [6 ]
Wagner, Manfred [7 ]
Wedenig, Andres Emilio [8 ]
Gaul, Konstantin [1 ,2 ,3 ,8 ]
Berger, Robert [8 ]
Pietschnig, Rudolf [9 ]
Kargin, Denis [9 ]
Barskiy, Danila A. [1 ,2 ,3 ]
Budker, Dmitry [1 ,2 ,3 ,10 ]
机构
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany
[2] Helmholtz Inst Mainz, D-55128 Mainz, Germany
[3] GSI Helmholtzzentrum Schwerionenforschung GmbH, D-64291 Darmstadt, Germany
[4] Forschungszentrum Julich, Inst Biol Informat Proc IBI 7, D-52425 Julich, Germany
[5] PSL Univ, Sorbonne Univ, Ecole Normale Super, Lab Biomol,LBM,Dept Chim, F-75005 Paris, France
[6] Univ Maryland, Quantum Technol Ctr, Coll Pk, Maryland, MD 20724 USA
[7] Max Planck Inst Polymer Res, D-55128 Mainz, Germany
[8] Philipps Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany
[9] Univ Kassel, Inst Chem & CINSaT, D-34132 Kassel, Germany
[10] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
关键词
ELECTRONIC-STRUCTURE CALCULATIONS; HARTREE-FOCK; QUADRUPLE-ZETA; TRIPLE-ZETA; BASIS-SETS; NMR; NONCONSERVATION; CONSERVATION; APPROXIMATION; PARAMETERS;
D O I
10.1039/d5cp00126a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Fundamental weak interactions have been shown to violate parity in both nuclear and atomic systems. However, observation of parity violation in a molecular system has proven an elusive target. Nuclear spin dependent contributions of the weak interaction are expected to result in energetic differences between enantiomers manifesting in nuclear magnetic resonance (NMR) spectra as chemical shift differences in the order of parts-per-trillion to parts-per-billion (mu Hz to mHz) for high-Z nuclei. This method uses simultaneous measurements of diastereomeric splittings for a light and a heavy nucleus in solution-state NMR to resolve chemical shift differences persisting in a non-chiral environment between enantiomers of chiral compounds smaller than the typical high-field NMR linewidth. Sources of error must be identified and minimized to verify that the observed effect is, in fact, due to parity violation and not systematic effects. This paper presents a detailed analysis of a system incorporating 31P and 1H NMR to elucidate the systematic effects and to guide experiments with higher-Z nuclei where molecular parity violation may be resolved.
引用
收藏
页码:6092 / 6103
页数:12
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