A P-Functionalized [3]Ferrocenophane with a Dynamic SPS-Bridge

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Weller , S , Klenk , R , Kelemen , Z , Nyulászi , L , Nieger , M & Gudat , D 2022 , ' A P-Functionalized [3]Ferrocenophane with a Dynamic SPS-Bridge ' , European Journal of Inorganic Chemistry , vol. 2022 , no. 3 , e202100923 . https://doi.org/10.1002/ejic.202100923

Title: A P-Functionalized [3]Ferrocenophane with a Dynamic SPS-Bridge
Author: Weller, Stefan; Klenk, Robert; Kelemen, Zsolt; Nyulászi, László; Nieger, Martin; Gudat, Dietrich
Contributor organization: Department of Chemistry
Date: 2022-01-27
Language: eng
Number of pages: 7
Belongs to series: European Journal of Inorganic Chemistry
ISSN: 1434-1948
DOI: https://doi.org/10.1002/ejic.202100923
URI: http://hdl.handle.net/10138/340564
Abstract: Ferrocene-1,1 '-dithiol reacts with PCl3 and P(NMe2)(3) to give [3]ferrocenophanes with SPS-ansa-bridges comprising potentially reactive P-Cl and P-N bonds at the central bridge atom. The products were characterized by NMR data and single-crystal XRD studies. The P-chloro-derivative exists both in the solid state and in solution as a mixture of two energetically nearly degenerate conformers with different stereochemical disposition of the ansa-bridge. Activation parameters for the dynamic equilibration between both isomers in solution were determined by dynamic NMR spectroscopy. Computational studies suggest that the isomerization proceeds via a torsional motion of the bridging SPS-unit rather than via configuration inversion at the phosphorus atom.
Subject: Conformation analysis
Ferrocenes
Phosphanes
Phosphorus heterocycles
Sulfur heterocycles
MOLECULAR-STRUCTURES
INVERSION BARRIERS
REVERSAL BARRIERS
DENSITY
APPROXIMATION
CRYSTAL
SULFUR
ENERGY
SHIFTS
116 Chemical sciences
Peer reviewed: Yes
Rights: cc_by
Usage restriction: openAccess


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