Synthesis and crystal structure of decamethyltitanocene hydroxide

Fully methylated titanocene hydroxide [Ti(OH) (η5-C5Me5)2] (1) was obtained by the reaction of single tucked-in decamethyltitanocene [Ti(η5-C5Me5){η5:η1-C5Me4(CH2)}] (2) with one equivalent of water dissolved in toluene. The X-ray single crystal diffraction of 1 revealed the bent Ti–O–H bonds (112(4)°) where the oxygen atom is only 0.038(4) Å away from the Cg(1), Ti, Cg(2) (Cg – centroid of the cyclopentadienyl ring) plane, and the hydroxyl bond is directed to the cyclopentadienyl ring C(1–5). The Ti–O bond length (1.889(2) Å) and energy of 1a1→b2 transition (6770(50) cm−1) indicate that the π-donation effect of the hydroxyl group is weaker compared to alkoxy groups.