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Issue 22, 2012
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A comparative study of the topology of the experimental electron density within 2 and 4e donor alkyne complexes

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Abstract

A comparison of the topology of the experimental electron density, as revealed by high resolution X-ray diffraction, is provided for two prototypal transition metal alkyne complexes where the alkyne formally behaves as a 2 or 4e donor. A higher value of the electron density ρ(r)bcp at the MT⋯C bond critical point (bcp), a lower value of ρ(r)bcp at the coordinated C[triple bond, length as m-dash]C bcp, outwardly bent M⋯C bond paths and a close to zero ellipticity for the C[triple bond, length as m-dash]C bond constitute the topological signature of a 4e donor alkyne ligand.

Graphical abstract: A comparative study of the topology of the experimental electron density within 2 and 4e− donor alkyne complexes

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Publication details

The article was received on 10 Feb 2012, accepted on 24 Mar 2012 and first published on 28 Mar 2012


Article type: Communication
DOI: 10.1039/C2DT30308F
Citation: Dalton Trans., 2012,41, 6598-6601
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    A comparative study of the topology of the experimental electron density within 2 and 4e donor alkyne complexes

    H. Nuss, N. Claiser, S. Pillet, N. Lugan, E. Despagnet-Ayoub, M. Etienne and C. Lecomte, Dalton Trans., 2012, 41, 6598
    DOI: 10.1039/C2DT30308F

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