Abstract
Ab initio MO calculations at the MP2 and MP4 levels on the [OsCl(CO)(PH3)2"H2SiH3"] model system predict the possible existence of two different stable species, one of [OsCl-(CO)(PH3)2(SiH3)(η2-H-H)] nature and another of [OsCl(CO)(PH3)2(H)(η2-H-SiH3)] nature, very close in energy. From data on this particular system, the importance of different energy contributions for the relative stability of [MLn(SiR3)(η2-H-H)] and [MLn(H)(η2-H-SiR3)] complexes is analyzed.
Original language | English |
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Pages (from-to) | 1218-1222 |
Journal | Organometallics |
Volume | 15 |
Issue number | 4 |
Publication status | Published - 20 Feb 1996 |