Coordination isomerism in N-heterocyclic phosphenium thiocyanates

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Blum , M , Gebhardt , J , Papendick , M , Schlindwein , S H , Nieger , M & Gudat , D 2018 , ' Coordination isomerism in N-heterocyclic phosphenium thiocyanates ' , Canadian Journal of Chemistry , vol. 96 , no. 6 , pp. 549-554 . https://doi.org/10.1139/cjc-2017-0647

Title: Coordination isomerism in N-heterocyclic phosphenium thiocyanates
Author: Blum, Markus; Gebhardt, Jacqueline; Papendick, Marius; Schlindwein, Simon H.; Nieger, Martin; Gudat, Dietrich
Contributor: University of Helsinki, Department of Chemistry
Date: 2018-06
Language: eng
Number of pages: 6
Belongs to series: Canadian Journal of Chemistry
ISSN: 0008-4042
URI: http://hdl.handle.net/10138/309263
Abstract: Two N-heterocyclic phosphines with exocyclic SCN substituents were synthesised via metathesis of chlorophosphine precursors with KSCN and fully characterised. The crystallographic studies reveal that the products exhibit pronounced structural differences. The thiocyanato unit binds in one case via the nitrogen atom to yield a molecular structure with a slightly elongated P-N single bond and, in the other case, via the sulfur atom to form a structure that is best described as an ion pair and forms a one-dimensional coordination polymer in the crystal. DFT calculations suggest that the P-N and P center dot center dot center dot S interactions can be described as covalent and dative bonds, respectively, and that the structural differences correlate with the different cation stabilities of the individual phosphenium cation fragments.
Subject: N-heterocyclic phosphines
ambident Lewis bases
dative bonds
coordination isomerism
NUCLEAR-MAGNETIC-RESONANCE
CRYSTAL-STRUCTURE
MOLECULAR-STRUCTURES
PHOSPHORUS CATIONS
COMPLEXES
LIGANDS
IONS
CHEMISTRY
COVALENT
ADDUCTS
116 Chemical sciences
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