Tris(silox)tantalum

Tris(silox)tantalum tends to react with C-C and C-O π bonds oxidatively to form a Ta(V) center and two single Ta-C bonds or one single Ta-C and one single Ta-O bonds, respectively:[1] Compared with traditional "sandwich" complexes - ferrocene and bisbenzene(chromium), for example - in which a metal center binds with cyclic conjugated hydrocarbon compounds such as the cyclopentadienyl anion or benzene with the maximum hapticity possible, tris(silox)tantalum coordinates with pyridine and benzene in the η2 mode due to its substantial reducing power and steric properties.

This supports the fact that pyridine's aromaticity has been disrupted by the coordination of the tantalum center whose oxidation state can be assigned as V with C5 and N acting both as X-type ligand.

As the ratio, vBH/vBD, is close with the value predicted by a reduced mass calculation, the BH3 adduct is considered to have simple BH vibrations without strong coupling to other modes.

[5] Tris(silox)·BH3 does not decompose after being heated in benzene at 90 °C for 24 hours; it does not show reaction with excess ethylene or trimethylamine; the barrier of dissociative exchange with BH3·THF is measured to be greater than 19 kcal/mol.

The main pathway of the mechanism of this reaction is illustrated below without the solvent adducts: First, carbon monoxide adds to tris(silox)tantalum to form an unstable tetrahedral intermediate, which quickly dimerizes.