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Gas-phase reactivity of Cp* group IX metal complexes bearing aromatic N,N′-chelating ligands

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Abstract

A set of cationic group IX metal complexes of the type [(η5-Cp*)M(Cl)(N,N′)]+ bearing N,N′-coordinating ligands structurally related to 2,2′-bipyridine were synthesized and characterized by means of elemental analysis, spectroscopy and single crystal X-ray diffraction. These complexes can undergo two different modes of CH activation in the gas phase, which were examined by CID ESI-MS spectrometry and by DFT calculations. On one hand, a roll-over cyclometallation can occur at one of the aromatic rings of the N,N′-coordinated ligands. On the other hand, a deprotonation of one of the Cp* methyl groups can take place, leading to complexes in the oxidation state +I with a tetramethylfulvene ligand coordinated. In both cases, the chlorido ligand acts as an internal base in the ESI-MS CID experiment.

Graphical abstract: Gas-phase reactivity of Cp* group IX metal complexes bearing aromatic N,N′-chelating ligands

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Publication details

The article was received on 31 Mar 2017, accepted on 16 May 2017 and first published on 16 May 2017


Article type: Paper
DOI: 10.1039/C7NJ01079F
Citation: New J. Chem., 2017, Advance Article
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    Gas-phase reactivity of Cp* group IX metal complexes bearing aromatic N,N′-chelating ligands

    C. Kerner, J. P. Neu, M. Gaffga, J. Lang, B. Oelkers, Y. Sun, G. Niedner-Schatteburg and W. R. Thiel, New J. Chem., 2017, Advance Article , DOI: 10.1039/C7NJ01079F

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