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

Edwin G. Ijpeij; Betty Coussens; Martin A. Zuideveld; Gerard H. J. van Doremaele; Philip Mountford; Martin Lutz; Anthony L. Spek

doi:10.1039/B925781K

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Chemical Communications

Issue 19, 2010

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

Edwin G. Ijpeij,^a Betty Coussens,^a Martin A. Zuideveld,^a Gerard H. J. van Doremaele,*^a Philip Mountford,^b Martin Lutz^c and Anthony L. Spek^c

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DSM Research B.V., P.O. Box 18, 6160MD Geleen, the Netherlands
E-mail: Gerard.Doremaele-van@dsm.com

Chemistry Research Laboratory, Department of Chemistry, University of Oxford, Mansfield Road, Oxford OX1 3TA, UK
E-mail: philip.mountford@chem.ox.ac.uk

Bijvoet Centre for Biomolecular Research, Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, the Netherlands

Chem. Commun., 2010,46, 3339-3341

DOI: 10.1039/B925781K
Received 11 Dec 2009, Accepted 19 Mar 2010
First published online 07 Apr 2010

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Abstract
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Reaction of Cp*Ti{NC(Ar^F₂)NⁱPr₂}Me₂ (1, Ar^F₂ = 2,6-C₆H₃F₂) with [Ph₃C][B(C₆F₅)₄] gave the base-free structurally authenticated dication [Cp*₂Ti₂{NC(Ar^F₂)NⁱPr₂}₂(μ-Me)₂][B(C₆F₅)₄]₂ (3-[BF₂₀]₂) containing two doubly α-agostic bridging methyl groups. 3-[BF₂₀]₂ is a highly effective ethylene–propylene polymerization catalyst at 90 °C, and its performance is identical to the catalyst generated in situ from 1 and [Ph₃C][B(C₆F₅)₄].

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Edwin G. Ijpeij
Betty Coussens
Martin A. Zuideveld
Gerard H. J. van Doremaele
Philip Mountford
Martin Lutz
Anthony L. Spek

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