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Issue 85, 2015
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The influence of L ligands on the {RuNO}6/7 bonding situation in cis-[Ru(NO)(NO2)L1–4]q complexes: a theoretical insight

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Abstract

It is regularly claimed that equatorial and axial ligands have a crucial role on the release of nitric oxide in ruthenium nitrosyl complexes. The reactivity of NO is dependent not only on the nature of the coordinated ligands but also on the bonding linkage isomerism that it can be involved. In this work, the interplay between the π-acceptor character of different L ligands and its effect on the Ru–NO bonding situation in {RuNO}6 and {RuNO}7 cores of cis-[Ru(NO)(NO2)L1–4]q complexes, where L = ammonia, 2,2′-bipyridine, 1,10′-phenanthroline and 1,4,8,11-tetraazacyclotetradecane ligands, is presented. The Ru–NO bonding situation is studied by the energy decomposition analysis of Su and Li, QTAIM and NBO methods. The nitrosyl–isonitrosyl isomerism is also investigated. Results show that complexes containing strong π-acceptor ligands (2,2′-bipyridine and 1,10′-phenanthroline) have their Ru–NO and Ru–ON interactions stabilized prior the NO reduction, while complexes containing weak π-acceptor ligands (ammonia and 1,4,8,11-tetraazacyclotetradecane) stabilize those interactions after reduction.

Graphical abstract: The influence of L ligands on the {RuNO}6/7 bonding situation in cis-[Ru(NO)(NO2)L1–4]q complexes: a theoretical insight

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Supplementary files

Article information


Submitted
08 Jun 2015
Accepted
06 Aug 2015
First published
13 Aug 2015

RSC Adv., 2015,5, 69057-69066
Article type
Paper

The influence of L ligands on the {RuNO}6/7 bonding situation in cis-[Ru(NO)(NO2)L1–4]q complexes: a theoretical insight

K. F. Andriani, G. F. Caramori, A. Muñoz-Castro and F. G. Doro, RSC Adv., 2015, 5, 69057
DOI: 10.1039/C5RA10888H

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