Issue 9, 2006
From the journal:

Dalton Transactions

A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(ii) obtained by oxidative substitution†

Sabine K. Schneider,a   Gerrit R. Julius,b   Christoph Loschen,c   Helgard G. Raubenheimer,*b   Gernot Frenking*c  and  Wolfgang A. Herrmann*a  

* Corresponding authors

a Department of Chemistry, Technische Universität München, Lichtenbergstr., 4, Garching, Germany
E-mail: wolfgang.herrmann@ch.tum.de
Fax: +49-(89)-289-13473
Tel: +49-(89)-289-13081

b Department of Chemistry, University of Stellenbosch, Private Bag X1, Matieland, Stellenbosch, South Africa
E-mail: hgr@sun.ac.za
Fax: +27 21 808 3849
Tel: +27 21 808 3850

c Fachbereich Chemie, Philips-Universität Marburg, Hans-Meerwein-Str., Marburg, Germany
E-mail: frenking@chemie.uni-marburg.de
Fax: +49 6421 282 5566
Tel: +49 6421 282 5563

Abstract

A series of cationic pyridinylidene and quinolinylidene complexes of chlorobis(triphenylphosphine)nickel(II) were prepared by oxidative substitution of Ni(PPh3)4 with methylated chloropyridines or chloroquinolines. NMR as well as X-ray crystallographic studies confirmed the trans arrangement of the two phosphines in the products. Calculations, using suitable model compounds at the BP86/TZVP level, clearly differentiate between a standard imidazolylidene complex and new complexes of the NHC-type on the one hand, and new complexes classified as rNHC-types—with the heteroatom distant from the carbene carbon—on the other. The latter form significantly stronger bonds—mainly of an electrostatic nature—with the metal.

Graphical abstract: A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(ii) obtained by oxidative substitution

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Article information

DOI
https://doi.org/10.1039/B512419K
Article type
Paper
Submitted
02 Sep 2005
Accepted
07 Nov 2005
First published
01 Dec 2005

Dalton Trans., 2006, 1226-1233

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A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution

S. K. Schneider, G. R. Julius, C. Loschen, H. G. Raubenheimer, G. Frenking and W. A. Herrmann, Dalton Trans., 2006, 1226 DOI: 10.1039/B512419K

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