Synthesis, solid state and DFT structure and olefin polymerization capability of a unique base-free dimeric methyl titanium dication

Chem Commun (Camb). 2010 May 21;46(19):3339-41. doi: 10.1039/b925781k. Epub 2010 Apr 7.

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)].

MeSH terms

  • Alkenes / chemistry*
  • Cations / chemical synthesis
  • Cations / chemistry
  • Computer Simulation*
  • Crystallography, X-Ray
  • Dimerization
  • Models, Chemical*
  • Models, Molecular
  • Molecular Structure
  • Organometallic Compounds / chemical synthesis*
  • Organometallic Compounds / chemistry*
  • Titanium / chemistry*

Substances

  • Alkenes
  • Cations
  • Organometallic Compounds
  • Titanium