1. Synthesis, solid state and DFT structure and olefin polymerization capability of a unique base-free dimeric methyl titanium dication
- Author
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Ijpeij, E. G., Coussens, B., Zuideveld, M.A., Van Doremaele, G. H. J., Mountford, P., Lutz, M., Spek, A.L., Crystal and Structural Chemistry, Sub Crystal and Structural Chemistry, Crystal and Structural Chemistry, and Sub Crystal and Structural Chemistry
- Subjects
Models, Molecular ,Solid-state ,chemistry.chemical_element ,Alkenes ,Photochemistry ,Crystallography, X-Ray ,Catalysis ,Cations ,Materials Chemistry ,Organometallic Compounds ,Olefin polymerization ,Computer Simulation ,Titanium ,Molecular Structure ,Base free ,Metals and Alloys ,General Chemistry ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Dication ,Crystallography ,chemistry ,Polymerization ,Models, Chemical ,Ceramics and Composites ,Dimerization - Abstract
Reaction of Cp*Ti{NC(Ar(F(2)))N(i)Pr(2)}Me(2) (1, Ar(F(2)) = 2,6-C(6)H(3)F(2)) with [Ph(3)C][B(C(6)F(5))(4)] gave the base-free structurally authenticated dication [Cp*(2)Ti(2){NC(Ar(F(2)))N(i)Pr(2)}(2)(mu-Me)(2)][B(C(6)F(5))(4)](2) (3-[BF(20)](2)) containing two doubly alpha-agostic bridging methyl groups. 3-[BF(20)](2) is a highly effective ethylene-propylene polymerization catalyst at 90 degrees C, and its performance is identical to the catalyst generated in situ from 1 and [Ph(3)C][B(C(6)F(5))(4)].
- Published
- 2010