The influence of L ligands on the {RuNO}6/7 bonding situation in cis-[Ru(NO)(NO2)L1-4]q complexes: A theoretical insight
Autor
Andriani K.F.
Caramori G.F.
Muñoz-Castro A.
Doro F.G.
Resumen
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. © The Royal Society of Chemistry 2015.
Colecciones
Ítems relacionados
Mostrando ítems relacionados por Título, autor o materia.
-
Article
Cyclic trinuclear copper(i), silver(i), and gold(i) complexes: A theoretical insight (2020)
Caramori G.F.; Piccoli R.M.; Segala M.; Muñoz-Castro A.; Guajardo-Maturana R.; Andrada D.M.; Frenking G. (Royal Society of Chemistry, 2015) -
Article
The bonding situation in heteromultimetallic carbonyl complexes (2020)
Ortolan, Alexandre Osmar; Caramori, Giovanni Finoto; Parreira, Renato L. T.; Pereira Orenha, Renato; Munõz-Castro, Alvaro; Frenking, Gernot (Royal Society of Chemistry, 2020-12-14)The synthesis and characterization of heteromultimetallic complexes has been one of the biggest challenges faced by inorganic chemists in the last few years. Here, the physical nature behind the relative stability of ... -
Article
Theoretical study of chloride complexes with hybrid macrocycles (2021)
Silva, Éder Henrique Da; Pereira Orenha, Renato; Muñoz-Castro, Alvaro; Finoto Caramori, Giovanni; Cachoeira Colaço, Matheus; Guerra Silva, Graziele Capatto; Parreira, R. L.T. (Royal Society of Chemistry, 2021-01-07)Anions show relevant roles in biological routes. The supramolecular chemistry investigates the chemical bonding between two or more molecules and/or ions. Herein, the nature of the bond between chloride anions and macrocycle ...