Synthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenides
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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.
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
Journal of Coordination Chemistry
© 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
DescriptionThe authors are grateful to the Tunisian Ministry of High Education and Scientific Research for financial support (LR99ES14) of this research.
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