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Updated: Dec 12, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η6-C6H6)2]
Daniel Hernández-Valdés1, Lionel Wettstein, Ricardo Fernández-Terán
1Department of Chemistry, University of Zurich, Winterthurerstr. 190, CH-8057 Zurich, Switzerland. ariel@chem.uzh.ch.
Abstract:
Cycloruthenation is a well known process in organometallic ruthenium chemistry. In this work, we report unprecedented cycloruthenated rhenium bis-arene compounds with planar chirality. In a two-step process, the reaction of acetyl-pyridine with [Re(η6-C6H6)2]+ introduced a pyridinyl-methanol ligand at one of the arene rings. Coordination of [Ru(CO)2Cl2] led to cycloruthenation, and the products were obtained as two diastereomeric pairs of enantiomers. Under basic pH conditions, the two pairs of enantiomers undergo spontaneous and reversible dimerization. The cycloruthenated monomers were fully characterized, and the dimerization process was studied by NMR, IR spectroscopy, and DFT calculations.
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