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

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Author(s)

Zied Gouid, M. A. K. Sanhoury, R. Ben Said, Cameron L. Carpenter-Warren, Alexandra M. Z. Slawin, M. T. Ben Dhia, J. Derek Woollins, S. Boughdiri

School/Research organisations

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 14 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.
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Details

Original languageEnglish
Pages (from-to)3859-3870
Number of pages21
JournalJournal of Coordination Chemistry
Volume70
Issue number23
Early online date22 Dec 2017
DOIs
Publication statusE-pub ahead of print - 22 Dec 2017

    Research areas

  • Phosphine chalcogenide, Zinc(II) complex, Structural study, NMR, DFT/B3LYP

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