An oxorhenium complex bearing a chiral cyclohexane‐1‐olato‐2‐thiolato ligand: Synthesis,stereochemistry, and theoretical study of parity violation vibrational frequency shifts |
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| Authors: | Nidal Saleh Radovan Bast Nicolas Vanthuyne Christian Roussel Trond Saue Benoît Darquié Jeanne Crassous |
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| Institution: | 1. Institut des Sciences Chimiques de Rennes UMR 6226, CNRS Université de Rennes 1, Campus de Beaulieu, Rennes Cedex, France;2. High Performance Computing Group, UiT The Arctic University of Norway, Troms?, Norway;3. Aix Marseille Université, Centrale Marseille, CNRS, iSm2 UMR 7313, Marseille, France;4. Laboratoire de Chimie et Physique Quantiques UMR 5626, CNRS et Université de Toulouse 3 (Paul Sabatier), Toulouse, France;5. Laboratoire de Physique des Lasers, Université Paris 13, Sorbonne Paris Cité CNRS, Villetaneuse, France |
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| Abstract: | In our effort towards measuring the parity violation energy difference between two enantiomers, a simple chiral oxorhenium complex 5 bearing enantiopure 2‐mercaptocyclohexan‐1‐ol has been prepared as a potential candidate species. Vibrational circular dichroism revealed a chiral environment surrounding the rhenium atom, even though the rhenium is not a stereogenic center itself, and enabled to assign the (1S,2S)‐(?) and (1R,2R)‐(+) absolute configuration for 5 . For both compound 5 and complex 4 , previously studied by us and bearing a propane‐2‐olato‐3‐thiolato ligand, relativistic calculations predict parity violating vibrational frequency differences of a few hundreds of millihertz, above the expected sensitivity attainable by a molecular beam Ramsey interferometer that we are constructing. |
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| Keywords: | chiral oxorhenium Methyltrioxorhenium parity violation relativistic quantum chemical calculations vibrational circular dichroism |
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