Abstract
Hydride transfer from Cp(CO)2(PCy3)MoH to Ph3 C+ BF4- gives Cp(CO)2(PCy3)MoFBF3, and the crystal structure of this complex was determined. In the weakly bound FBF3 ligand, the B-F(bridging) bond length is 1.475(8) Å, which is 0.15 Å longer than the average length of the three B-F(terminal) bonds. The PCy3 and FBF3 ligands are cis to each other in the four-legged piano stool structure. Electronic structure (DFT) calculations predict the trans isomer of Cp(CO)2(PCy3)MoFBF3 to be 9.5 kcal/mol (in Δ Gg, 298{ring operator}) less stable than the cis isomer that was crystallographically characterized. Hydride transfer from Cp(CO)2(PCy3)MoH to Ph3 C+ BAr4′- [Ar′ = 3, 5 - bis(trifluoromethyl)phenyl] in CH2Cl2 solvent produces [Cp (CO)2 (PCy3) Mo (ClCH2 Cl)]+ [BAr4′]-, in which CH2Cl2 is coordinated to the metal.
Original language | English |
---|---|
Pages (from-to) | 581-585 |
Number of pages | 5 |
Journal | Inorganica Chimica Acta |
Volume | 363 |
Issue number | 3 |
DOIs | |
Publication status | Published - Feb 15 2010 |
Keywords
- DFT computations
- Hydride transfer reactions
- Metal hydride
- Molybdenum complex
- Weakly coordinating ligand
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry