Activation of a bis(phenoxy-amine) precatalyst for olefin polymerisation: first evidence for an outer sphere ion pair with the methylborate counterion

Gianluca Ciancaleoni; Natascia Fraldi; Peter H. M. Budzelaar; Vincenzo Busico; Alceo Macchioni

doi:10.1039/B908805A

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Dalton Transactions

Issue 41, 2009

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Activation of a bis(phenoxy-amine) precatalyst for olefin polymerisation: first evidence for an outer sphere ion pair with the methylborate counterion

Gianluca Ciancaleoni , Natascia Fraldi , Peter H. M. Budzelaar , Vincenzo Busico and Alceo Macchioni

Dalton Trans., 2009, 8824-8827

DOI: 10.1039/B908805A
Received 05 May 2009, Accepted 23 Jun 2009
First published on the web 02 Jul 2009
This article is part of the collection: Metal-Catalysed Polymerisation

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A bis(phenoxy-amine)ZrMe₂ complex (1) was synthesized and activated with B(C₆F₅)₃ obtaining an ion pair (2) having the MeB(C₆F₅)₃⁻ counterion in the second coordination sphere as deduced by NMR studies. Both DFT calculations and NMR investigations suggest that the activation is coupled with a change of the binding modality of the tetradentate ligand from cis(N,N)-trans(O,O) in the octahedral dimethyl precursor 1 to cis(N, N)-cis(O,O) in the ion pair 2.

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Experimental and Computational Part, NMR spectra and Tablesgiving coordinates and energies of all the speciesconsidered
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Gianluca Ciancaleoni
Natascia Fraldi
Peter H. M. Budzelaar
Vincenzo Busico
Alceo Macchioni

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Dalton Transactions

Activation of a bis(phenoxy-amine) precatalyst for olefin polymerisation: first evidence for an outer sphere ion pair with the methylborate counterion

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