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Intramolecular formation of a CrI(bis-arene) species via TEA activation of [Cr(CO)4(Ph2P(C3H6)PPh2)]+: sn EPR and DFT investigation

McDyre, Lucia, Carter, Emma, Cavell, Kingsley John, Murphy, Damien Martin, Platts, James Alexis, Sampford, Katharine R., Ward, Benjamin David, Gabrielli, William, Hanton, Martin J. and Smith, David M. 2011. Intramolecular formation of a CrI(bis-arene) species via TEA activation of [Cr(CO)4(Ph2P(C3H6)PPh2)]+: sn EPR and DFT investigation. Organometallics 30 (17) , pp. 4505-4508. 10.1021/om2006062

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Abstract

Activation of the catalytically relevant complex [Cr(CO)4(1)] (1 = Ph2P(C3H6)PPh2) by Et3Al (TEA) leads to formation of the Cr(I) bis-arene complex [Cr(1-bis- 6-arene)]+, as revealed by EPR and DFT calculations. This bis-arene complex is formed by intramolecular rearrangement and coordination of Cr(I) to the ligand phenyl groups in aliphatic solvents following loss of CO, preventing release of Cr(I) into solution. By comparison in aromatic solvents (toluene), the [Cr(bis-tolyl)]+ complex is preferentially formed.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Cardiff Catalysis Institute (CCI)
Subjects: Q Science > QD Chemistry
Publisher: American Chemical Society
ISSN: 0276-7333
Funders: EPSRC
Last Modified: 04 Nov 2019 01:09
URI: http://orca.cf.ac.uk/id/eprint/13025

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