Experimental and computational studies of two new mono- and dinuclear iridium complexes containing a Buchwald biphenyl phosphine ligand

Dahlenburg L, Menzel R, Puchta R, Heinemann FW (2008)


Publication Status: Published

Publication Type: Journal article

Publication year: 2008

Journal

Publisher: ELSEVIER SCIENCE SA

Book Volume: 361

Pages Range: 2623-2630

Journal Issue: 9-10

DOI: 10.1016/j.ica.2007.11.006

Abstract

The reaction of [(eta(4)-1,5-C(8)H(12))(2)Ir(2)(mu-Cl)(2)] with 2-di-t-butylphosphino-2'-methylbiphenyl (t-Bu(2)Pbiph(Me)) in the presence of AgBF(4) afforded the dichlorido-bridged Ir-Ag complex [(eta(4)-1,5-C(8)H(12))Ir(mu-Cl)(2)Ag(t-Bu(2)Pbiph(Me))] (1) which was fully characterized by a single crystal X-ray diffraction study. Sequential treatment of the diiridium precursor first with the silver salt and then with the phosphine yielded cyclometalated [(eta(4)-1,5-C(8)H(12))Ir(t-Bu(2)Pbiph(Me)-H(+))] (2). Detailed DFT calculations gave evidence that the phosphine ligand of 2 forms a strained four-membered iridaheterocycle through orthometalation rather than a sterically congested six-membered chelate structure through C-H activation on the remote phenyl ring. The phosphonium salt [t-Bu(2)P(H)biph(Me)]BF(4) was isolated as a by-product of the preparations of 1 and 2; its crystal structure was determined. (C) 2007 Elsevier B.V. All rights reserved.

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How to cite

APA:

Dahlenburg, L., Menzel, R., Puchta, R., & Heinemann, F.W. (2008). Experimental and computational studies of two new mono- and dinuclear iridium complexes containing a Buchwald biphenyl phosphine ligand. Inorganica Chimica Acta, 361(9-10), 2623-2630. https://dx.doi.org/10.1016/j.ica.2007.11.006

MLA:

Dahlenburg, Lutz, et al. "Experimental and computational studies of two new mono- and dinuclear iridium complexes containing a Buchwald biphenyl phosphine ligand." Inorganica Chimica Acta 361.9-10 (2008): 2623-2630.

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