Abstract
The dihydride-dichloro complex OsH2Cl2-(P iPr3)2 (1) reacts with 4.0 equiv of HSnPh 3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh 3)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 DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the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.
Original language | English |
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Pages (from-to) | 1453-1456 |
Journal | Organometallics |
Volume | 23 |
Issue number | 6 |
DOIs | |
Publication status | Published - 15 Mar 2004 |