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Updated: Jun 1, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
[N,N-Bis(diphenyl-phosphino)propyl-amine-κP,P]bromidotricarbonyl-rhenium(I)
Marietjie Schutte1, Hendrik G Visser, Alice Brink
1Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9330, South Africa.
Abstract:
In the title compound, [ReBr(C(27)H(27)NP(2))(CO)(3)], the Re(I) atom is octa-hedrally surrounded by three carbonyl ligands in a facial arrangement, a bromide ligand and the P,P'-bidentate ligand Bis(diphenyl-phosphino)propyl-amine. The compound exhibits substitutional disorder of the bromide ligand and the axial carbonyl ligand, with almost 50% occupancy for both Br amd CO [0.538 (4) and 0.462 (4), respectively]. In addition, the propyl chain on the N atom of the bidentate ligand exhibits a 0.648 (9):0.352 (9) disorder. C-H⋯O and C-H⋯Br hydrogen bonding consolidates the crystal packing.
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