Syntheses, structures and DFT study of [W(CO)<sub>5</sub>(Ph<sub>2</sub>SbX)] X = Cl, Br, I期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Syntheses, structures and DFT study of [W(CO)₅(Ph₂SbX)] X = Cl, Br, I

Authors:	HJ Breunig T Borrmann CI Ra?

Institution:	^a Institut für Anorganische und Physikalische Chemie, Fachbereich 2 der Universität Bremen, Postfach 330 440, D-28334 Bremen, Germany ^b Institut für Organische Chemie, Fachbereich 2 der Universität Bremen, Postfach 330 440, D-28334 Bremen, Germany

Abstract:	The complexes W(CO)₅(Ph₂SbX)], X = Cl (1), Br (2) and I (3) were prepared by reaction of W(CO)₅(tetrahydrofuran)] with Ph₂SbX. The structures of 1-3 were studied by X-ray diffraction. In the crystals there are weak contacts between the oxygen atoms of the CO ligands and antimony atoms of neighbouring molecules. DFT calculations were carried out for 1 using gradient corrected functional B3LYP. The bonding between Ph₂SbCl and the W(CO)₅ fragment in 1 was analysed using charge decomposition analysis.

Keywords:	Antimony Tungsten X-ray structure DFT
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