Issue 4, 2013
From the journal:

New Journal of Chemistry

Synthesis, structure and computational studies of a cationic T-shaped Pd-complex†

Marc D. Walter,*a   Peter S. Whiteb  and  Maurice Brookhart*b  

* Corresponding authors

a Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, 38106 Braunschweig, Germany
E-mail: mwalter@tu-bs.de
Fax: +49 531-391-5309

b Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA
E-mail: brookhart@email.unc.edu

Abstract

Reaction of [(cod)Pd(Me)(thf)][SbF6] or [(cod)Pd(Me)(MeCN)][B(ArF)4] (cod = 1,5-cyclooctadiene, B(ArF)4 = [3,5-(F3C)2C6H3]4B) with one or two equivalents of tBu3P gives [(tBu3P)2Pd(Me)]+ (3) exclusively. The two sterically encumbered tBu-groups prevent solvent coordination. In addition, this formally three coordinate complex is stabilized by a γ-agostic interaction in solid state, whereas solution NMR studies confirm that this interaction is rather weak. The strength of the γ-agostic interaction was evaluated using density functional theory (DFT) calculations. Surprisingly, [(tBu3P)2Pd(Me)]+ is unreactive toward CO, H2, C2H4 and norbornene.

Graphical abstract: Synthesis, structure and computational studies of a cationic T-shaped Pd-complex

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Article information

DOI
https://doi.org/10.1039/C3NJ41145A
Article type
Paper
Submitted
17 Dec 2012
Accepted
22 Jan 2013
First published
11 Feb 2013

New J. Chem., 2013,37, 1128-1133

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Synthesis, structure and computational studies of a cationic T-shaped Pd-complex

M. D. Walter, P. S. White and M. Brookhart, New J. Chem., 2013, 37, 1128 DOI: 10.1039/C3NJ41145A

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