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Issue 23, 2014
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Ru–NO and Ru–NO2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy)2]2+/+ complexes – a theoretical insight

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Abstract

Ruthenium nitrosyl complexes have received considerable attention due to the fact that they are able to store, transfer and release NO in a controlled manner. It is well-known that the NO reactivity of ruthenium nitrosyl complexes can be modulated with the judicious choice of equatorial and axial ligands. In this piece of research we elucidate the nature of the Ru–NO and Ru–NO2 bonding in a cis-[Ru(NO)(NO2)(bpy)2]2+ complex energy decomposition (Su–Li EDA) and topological (e.g., QTAIM) and natural bond orbital analysis. It was observed that the strength of these bonds is directly correlated with the relative stability of isomers involved in nitro–nitrito and nitrosyl–isonitrosyl isomerism, as described previously by Coppens and Ooyama.

Graphical abstract: Ru–NO and Ru–NO2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy)2]2+/+ complexes – a theoretical insight

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Publication details

The article was received on 03 Jan 2014, accepted on 03 Apr 2014 and first published on 29 Apr 2014


Article type: Paper
DOI: 10.1039/C4DT00016A
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Citation: Dalton Trans., 2014,43, 8792-8804

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    Ru–NO and Ru–NO2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy)2]2+/+ complexes – a theoretical insight

    K. F. Andriani, G. F. Caramori, F. G. Doro and R. L. T. Parreira, Dalton Trans., 2014, 43, 8792
    DOI: 10.1039/C4DT00016A

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