Synthesis and structure of novel triphenylarsine-substituted tungsten(0) Fischer carbene complexes
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| dc.contributor.author | Jansen van Rensburg, Armand
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| dc.contributor.author | Landman, Marile
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| dc.contributor.author | Van Rooyen, Petrus H.
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| dc.contributor.author | Conradie, Marrigje M.
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| dc.contributor.author | Conradie, Jeanet
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| 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 |
