Synthesis, X-ray, and electronic structures of a new nickel dibromide complex. Activity in the regioselective catalyzed dimerization of ethylene into 1-butene

Guilhem Mora; Steven van Zutphen; Christian Klemps; Louis Ricard; Yves Jean; Pascal Le Floch

doi:10.1021/ic701529a

Synthesis, X-ray, and electronic structures of a new nickel dibromide complex. Activity in the regioselective catalyzed dimerization of ethylene into 1-butene

Inorg Chem. 2007 Nov 26;46(24):10365-71. doi: 10.1021/ic701529a. Epub 2007 Oct 26.

Authors

Guilhem Mora¹, Steven van Zutphen, Christian Klemps, Louis Ricard, Yves Jean, Pascal Le Floch

Affiliation

¹ Laboratoire Hétéroéléments et Coordination, Ecole Polytechnique, CNRS, 91128 Palaiseau Cedex, France.

PMID: 17960901
DOI: 10.1021/ic701529a

Abstract

Reaction of the bis-(3,4)-dimethylphosphole-Xanthene 1b with [NiBr2(DME)] afforded a new nickel(II) dibromide complex, 2. Both its color and its NMR behavior change with temperature and solvent due to changes in the spin state of the complex. This led us to study the complex spin states using DFT calculations. Furthermore, the activity of 2 in catalyzed ethylene dimerization was studied, revealing both high activity and selectivity toward the production of 1-butene.