Issue 23, 2014
From the journal:

Dalton Transactions

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

Karla Furtado Andriani,*a   Giovanni Finoto Caramori,a   Fábio Gorzoni Doro‡b  and  Renato Luis Tame Parreirac  

* Corresponding authors

a Departamento de Química, Universidade Federal de Santa Catarina, Campi Universitário Trindade, 88040-900 Florianópolis, SC, Brazil
E-mail: karla.andriani@posgrad.ufsc.br
Tel: +55-48-3721-6844x239

b Departamento de Química Geral e Inorgânica, Universidade Federal da Bahia – UFBA, Salvador, BA, Brazil

c Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca – UNIFRAN, Franca, SP, Brazil

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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Article information

DOI
https://doi.org/10.1039/C4DT00016A
Article type
Paper
Submitted
03 Jan 2014
Accepted
03 Apr 2014
First published
29 Apr 2014

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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