title: Synthesis, solid state and DFT structure and olefin polymerization capability of a unique base-free dimeric methyl titanium dication.
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)].
authors.affiliation: DSM Research B.V., P.O. Box 18, 6160MD Geleen, The Netherlands.
authors.forename: Edwin G
authors.initials: EG
authors.lastname: Ijpeij
authors.forename: Betty
authors.initials: B
authors.lastname: Coussens
authors.forename: Martin A
authors.initials: MA
authors.lastname: Zuideveld
authors.forename: Gerard H J
authors.initials: GH
authors.lastname: van Doremaele
authors.forename: Philip
authors.initials: P
authors.lastname: Mountford
authors.forename: Martin
authors.initials: M
authors.lastname: Lutz
authors.forename: Anthony L
authors.initials: AL
authors.lastname: Spek
mesh_terms: D000475:Alkenes / Q000737:chemistry*; D002412:Cations / Q000138:chemical synthesis / Q000737:chemistry; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D019281:Dimerization; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D014025:Titanium / Q000737:chemistry*
chemical_list: D000475:Alkenes; D002412:Cations; D009942:Organometallic Compounds; D014025:Titanium