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Preparation and Full Characterization of a Tetrahydride-bis(stannyl)-osmium(VI) Derivative

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journal contribution
posted on 15.03.2004, 00:00 by Miguel A. Esteruelas, Agustí Lledós, Olivier Maresca, Montserrat Oliván, Enrique Oñate, María A. Tajada
The dihydride-dichloro complex OsH2Cl2(PiPr3)2 (1) reacts with 4.0 equiv of HSnPh3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh3)2(PiPr3)2 (2), which has been characterized by X-ray diffraction analysis. DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the steric effects on the experimental structure.