Inorganic Chemistry, Vol.33, No.16, 3609-3611, 1994
Preparation and Spectroscopic and Theoretical Characterization of the Tetrahydroborate Complex Osh3(Eta-2-H2Bh2)(P-I-Pr3)2
The reaction of OsH2Cl2(P-i-Pr3)2 with NaBH4 leads to OsH3(eta2-H2BH2)(P-i-Pr3)2, which decomposes to OsH6(P-i-Pr3)2 in methanol at room temperature. Spectroscopic an theoretical studies suggest that the tetrahydroborate compound contains three hydrido ligands with a hydrogen-hydrogen separation of about 1.6 angstrom. Evidences for any electronic interaction between them have not been found.
Keywords:MOLECULAR-ORBITAL METHODS;EFFECTIVE CORE POTENTIALS;GAUSSIAN-TYPE BASIS;TRANSITION-METAL;COORDINATION MODES;BASIS-SETS;REACTIVITY;ABINITIO;OSHCL(CO)(PIPR3)2;HYDROGENATION