A structural, spectroscopic and theoretical study of the triphenylphosphine chalcogenide complexes of tungsten carbonyl, [W(XPPh3)(CO)5], X=O, S, Se |
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Authors: | Julian B Cook Derek W Smith |
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Institution: | Department of Chemistry, School of Science and Technology, University of Waikato, Private Bag 3105, Hamilton, New Zealand |
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Abstract: | The series W(XPPh3)(CO)5], X=O, S, Se has been structurally determined by X-ray crystallography and fully characterised spectroscopically to provide data for comparing the bonding of the Ph3PX ligands to the metal. The P-X-W angles are 134.3°, 113.2° and 109.2°, respectively, for X=O, S, Se. The bonding has been analysed using EHMO calculations which suggest that lower P-X-W angles depend on the relative importance of σ-bonding, which in turn depends on the chalcogen in the order X=Se > S > O. The effect is enhanced by lower energies of the metal σ and π orbital energies. |
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Keywords: | Tungsten carbonyl Triphenylphosphine oxide Triphenylphosphine sulfide Triphenylphosphine selenide X-ray structure EHMO calculations |
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