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Updated: Aug 19, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Characterization of an organometallic xenon complex using NMR and IR spectroscopy
Graham E Ball1, Tamim A Darwish, Spili Geftakis
1NMR Facility and School of Chemistry, University of New South Wales, Sydney 2052, Australia. gball@unsw.edu.au
Abstract:
Photolysis of Re(iPrCp)(CO)2(PF3) in liquid or supercritical Xe yields two new compounds [Re(iPrCp)(CO)2Xe and Re(iPrCp)(CO)(PF3)Xe]. Re(iPrCp)(CO)(PF3)Xe has been characterized by NMR and IR spectroscopies. The compound is an organometallic Xe complex that has been characterized by using NMR spectroscopy and is shown to be longer-lived than other organometallic Xe complexes by IR spectroscopy. 19F, 31P, and 129Xe chemical shifts have been determined. The 129Xe chemical shift of Re(iPrCp)(CO)(PF3)Xe, delta -6,179, is a Xe shift that is significantly shielded, on the order of 1,000 ppm, with respect to free Xe. The coupling constants between coordinated 129Xe and both the 19F and 31P nuclei present have been extracted, confirming the identity of the compound. Observed line widths give a lower limit to the lifetime of the coordinated Xe of 27 ms at 163 K.
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