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Facile synthesis and X-ray structures of (η5-C5Me5)Ti(OArF)3 (OArF = OC6F5, OCH2C6F5, and OCH2C6F2H3)

New half-sandwich titanocene complexes (η5-C5Me5)Ti(OC6F5)3 (1), (η5-C5Me5)Ti(OCH2C6F5)3 (2), and (η5-C5Me5)Ti(OCH2C6F2H3)3 (3) were synthesized via the displacement of methoxide ligands in (η5-C5Me5)Ti(OMe)3 by the corresponding aryloxy or benzyloxy ligands. These compounds have been fully characterized by various spectroscopic methods including X-ray crystallography. Compound 1 has a distorted three-legged piano stool structure. However, complexes 2 and 3 have the chariot-like structure, where chariot means a two-wheeled horse-drawn vehicle. The π electron donation of oxygen atom to Ti center in complexes 1-3 is considerable.

Synthesis of a series of new, highly electrophilic, monocyclopentadienyltitanium olefin polymerization initiators

The new compounds Ti(η-C5Me5)Me2E (E = C6F5 or OC6F5) and Ti(η-C5Me5)Me(OC6F5)2 have been synthesized and characterized by a variety of techniques, including 47/49Ti NMR spectroscopy. All three compounds react with the borane B(C6F5)3 to form the highly electrophilic but thermally unstable species Ti(η-C5Me5)Me(E)(η-Me)B-(C6F 5)3 and [η-C5Me5)Ti(OC6F5) 2][BMe(C6F5)3], the solution structures and dynamics of which are investigated and compared with those of the known compound Ti(η-C5Me5)Me2(η-Me)B(C 6F5)3,. Interestingly, Ti(η-C5Me5)-Me(C6F 5)(η-Me)B(C6F5)3 undergoes neither significant ion-pair dissociation to the solvent separated ions [(η-C5Me5)TiMe(C6F5)] + and [BMe(C6F5)3]- nor borane dissociation to its precursors (η-C5Me5)TiMe2(C6F5) and B(C6F5)3; indeed, both rotation about the Ti-C6F5 bond and inversion at the chiral metal are slow on the NMR time-scale. In contrast, Ti(η-C5Me5)Me(OC6F 5)(η-Me)B(C6F5)3 is more labile and, like Ti(η-C5Me5)Me2;(η-Me)-B(C 6F5)3, undergoes ion-pair dissociation, while [(η-C5Me5)Ti(OC6F5) 2][BMe(C6F5)3] exists in solution as the solvent separated ion species [(η-C5Me5)Ti(OC6F5) 2]- and [BMe(C6F5)3]- in equilibrium with its precursors, (η-C5Me5)TiMe(OC6F5)2 and B(C6F5)3.

Synthesis and characterization of new alkoxide and aryloxide derivatives of titanium and zirconium. X-ray molecular structure of

Lithium or sodium alkoxides MOR (R = CH2CH-CMe2; M = Li 1; Na 2; R = C6F5; M = Li 3) were prepared by reaction of the alcohols with n-butyl lithium or sodium metal in hexane.Reaction of a hexane suspension of 3 with SiClMe3 afforded SiMe3(OC6F5) 4, whereas the reaction of 3 equivalents of C6F5OH with AlMe3 in hexane led to Al(OC6F5)3 5.Compounds 1 or 2 react with one equivalent of *Cl2Me> (Cp* = C5Me5) in toluene to give *ClMe(OCH2CH=CMe2)> 6.Complex 6 reacts with AlEtCl2 to give quantitatively *Cl3>.In the presence of water, the hydrolysis of 6 takes place giving the μ-oxo compound *Cl)(μ-O)>3>. *Cl2Me> reacted with an excess of the alcohol C6F5OH to give *(OC6F5)3> 7. reacted with two equivalents of pentafluorophenol in the presence of aniline to give the dialkoxide 8.When the same reaction was carried out in a 1:1 molar ratio, a mixture of 8 and the chloroalkoxide 9 was obtained.A clean reaction takes place when the μ-oxo compound is treated with two equivalents of pentafluorophenol, leading to the isolation of the alkoxo complex 2(μ-O)> 10.The methylalkoxo derivative 11, was obtained by reaction of with one equivalent of 3.Alternative methods can also be followed to synthesize 8 and 11.The crystal and molecular structure of 8 has been determined by X-ray diffraction methods.The most interesting feature of this structure is the disposition of the (C6F5) ring planes, which are located practically on the reflection plane defined by O(1), Zr(1) and O(1)'. Keywords: Titanium; Zirconium; Alkoxides; X-ray diffraction; Group 4; Cyclopentadienyl