Synthesis and structure of novel triphenylarsine-substituted tungsten(0) Fischer carbene complexes

Jansen van Rensburg, Armand; Landman, Marile; Van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet

dc.contributor.author	Jansen van Rensburg, Armand
dc.contributor.author	Landman, Marile
dc.contributor.author	Van Rooyen, Petrus H.
dc.contributor.author	Conradie, Marrigje M.
dc.contributor.author	Conradie, Jeanet
dc.date.accessioned	2016-11-01T12:20:58Z
dc.date.issued	2016-02
dc.description.abstract	X-ray crystal structure determination, as well as IR and NMR spectroscopy of four novel triphenylarsinesubstituted tetracarbonyl tungsten(0) Fischer carbene complexes of general formula [(CO)4(AsPh3) WC(OEt)(Ar)], with Ar ¼ 2-thienyl (1), 2-furyl (2), 2-(N-methyl)pyrrolyl (3), 2,20 -bithienyl (4), revealed a cis-configuration for the substituted AsPh3 group relative to the carbene ligand for all four novel complexes. All X-ray structures showed that the WeC bond trans AsPh3 < WeC bond trans carbene < WeC bond trans CO. DFT calculations on all possible conformations of each complex due to the different possible positions of the ligands and carbene substituents to each other, correlated with the experimental results.	en_ZA
dc.description.department	Chemistry	en_ZA
dc.description.embargo	2017-02-28
dc.description.librarian	hb2016	en_ZA
dc.description.sponsorship	The Norwegian Supercomputing Program (NOTUR) through a grant of computer time (Grant No. NN4654K) (JC), the South African National Research Foundation (JC, ML) and the Central Research Fund of the University of the Free State, Bloemfontein (JC) and the University of Pretoria (ML).	en_ZA
dc.description.uri	http://www.elsevier.com/ locate/molstruc	en_ZA
dc.identifier.citation	Jansen Van Rensburg, A, Landman, M, Van Rooyen, PH, Conradie, MM & Conradie, J 2016, 'Synthesis and structure of novel triphenylarsine-substituted tungsten(0) Fischer carbene complexes', Journal of Molecular Structure, vol. 1105, pp. 205-213.	en_ZA
dc.identifier.issn	0022-2860 (print)
dc.identifier.issn	1872-8014 (online)
dc.identifier.other	10.1016/j.molstruc.2015.10.012
dc.identifier.uri	http://hdl.handle.net/2263/57605
dc.language.iso	en	en_ZA
dc.publisher	Elsevier	en_ZA
dc.rights	© 2016 Elsevier B.V. All rights reserved. Notice : this is the author’s version of a work that was accepted for publication in Journal of Molecular Structure. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. A definitive version was subsequently published in Journal of Molecular Structure, vol. 1105, pp. 205-213, 2016. doi : 10.1016/j.molstruc.2015.10.012.	en_ZA
dc.subject	Fischer carbene	en_ZA
dc.subject	Tungsten	en_ZA
dc.subject	Triphenylarsine	en_ZA
dc.subject	Conformations	en_ZA
dc.subject	Density functional theory (DFT)	en_ZA
dc.title	Synthesis and structure of novel triphenylarsine-substituted tungsten(0) Fischer carbene complexes	en_ZA
dc.type	Postprint Article	en_ZA