期刊
JOURNAL OF COORDINATION CHEMISTRY
卷 70, 期 23, 页码 3859-3870出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00958972.2017.1416357
关键词
Phosphine chalcogenide; zinc(II) complex; structural study; NMR; DFT/B3LY
资金
- Tunisian Ministry of High Education and Scientific Research [LR99ES14]
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-Bu 3 PE giving yields of 56-88%. The adducts were characterized by multinuclear (P-31, C-13, and Se-77) NMR, conductivity, IR spectroscopy and by X-ray analyses. Zinc complexes 1-4 are compriseS of two ligands coordinated to the metal center 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) A (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. [GRAPHICS]
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