Syntheses, structures and DFT study of [W(CO)5(Ph2SbX)] X = Cl, Br, I |
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Authors: | H.J. Breunig T. Borrmann C.I. Ra? |
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Affiliation: | 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 |
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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. |
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Keywords: | Antimony Tungsten X-ray structure DFT |
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