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Synthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenides

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Woollins_2017_JCC_SynthesisDFT_AAM.pdf (937.1Kb)
Date
22/12/2017
Author
Gouid, Zied
Sanhoury, M. A. K.
Said, R. Ben
Carpenter-Warren, Cameron L.
Slawin, Alexandra M. Z.
Dhia, M. T. Ben
Woollins, J. Derek
Boughdiri, S.
Keywords
Phosphine chalcogenide
Zinc(II) complex
Structural study
NMR
DFT/B3LYP
QD Chemistry
DAS
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Abstract
Four new zinc(II) complexes of the type [ZnCl2(n-Bu3PE)2] (E = O ( 1 ), S ( 2 ), Se ( 3 ) or Te ( 4 )) have been synthesized from zinc(II) chloride and the ligands n-Bu3PE giving yields of 56-88%. The adducts were characterized by multinuclear (31P, 13C and 77Se) NMR, conductivity, IR spectroscopy and by X-ray analyses. The zinc complexes 1 – 4 are comprised of two ligands coordinated to the metal centre in a distorted tetrahedral arrangement. The P=E bond lengths of 1.497(7) (E = O), 2.000(4) (E = S) and 2.178(2) Å (E = Se) in these complexes are slightly elongated compared to those in the free ligand. In addition, a DFT/B3LYP theoretical study on the geometry optimization of the title ligands and their zinc complexes has been carried out in order to support and complement the experimental data and to further investigate the nature of the chalcogenide-metal interaction. The results show good agreement between the experimental and theoretical data.
Citation
Gouid , Z , Sanhoury , M A K , Said , R B , Carpenter-Warren , C L , Slawin , A M Z , Dhia , M T B , Woollins , J D & Boughdiri , S 2017 , ' Synthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenides ' , Journal of Coordination Chemistry , vol. 70 , no. 23 , pp. 3859-3870 . https://doi.org/10.1080/00958972.2017.1416357
Publication
Journal of Coordination Chemistry
Status
Peer reviewed
DOI
https://doi.org/10.1080/00958972.2017.1416357
ISSN
0095-8972
Type
Journal article
Rights
© 2017 Informa UK Limited, trading as Taylor & Francis Group. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1080/00958972.2017.1416357
Description
The authors are grateful to the Tunisian Ministry of High Education and Scientific Research for financial support (LR99ES14) of this research.
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/16757

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