Synthesis, characterization and theoretical studies of ruthenium(II) complexes with the quinone functionalized polypyridine ligand, Nqphen

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datacite.alternateIdentifier.citationPOLYHEDRON,Vol.39,59-65,2012
datacite.alternateIdentifier.doi10.1016/j.poly.2012.03.020
datacite.creatorDíaz Harris, Ramiro
datacite.creatorFrancois, Angelica
datacite.creatorBarrera, Mauricio
datacite.creatorLoeb, Barbara
datacite.date2012
datacite.subject.englishAcceptor ligand
datacite.subject.englishQuinone
datacite.subject.englishRuthenium complexes
datacite.subject.englishTDDFT study
datacite.titleSynthesis, characterization and theoretical studies of ruthenium(II) complexes with the quinone functionalized polypyridine ligand, Nqphen
dc.date.accessioned2021-04-30T16:34:20Z
dc.date.available2021-04-30T16:34:20Z
dc.description.abstractThe synthesis, spectral characterization. electrochemical properties and TDDFT theoretical study of the complexes [Ru(dmbpy)(2)(Nqphen)](PF6)(2) (2a) and [Ru(tmbpy)(2)(Nqphen)](PF6)(2) (2b) is reported. Nqphen is the quinone substituted acceptor ligand [3,2-a:2',3'-c]-benzo[3,4]-phenazine-11,16-quinone, dmbpy is 4,4'-dimethyl-2,2'-bipyridine and tmbpy is 4,4',5,5'-tetramethyl-2,2'-bipyridine. No major difference is observed in the spectroscopic and electrochemical properties of the complexes, reflecting that the presence of the electron withdrawing Nqphen ligand governs their behavior. Molecular orbital calculations show that the LUMO is centered on the quinonic fragment of Nqphen, while the HOMO orbital has mainly a metal character. The calculations results at TDFT level were consistent with the experimental data, and permitted their detailed interpretation. (C) 2012 Elsevier Ltd. All rights reserved.
dc.identifier.urihttp://repositoriodigital.uct.cl/handle/10925/3057
dc.language.isoen
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.sourcePOLYHEDRON
oaire.resourceTypeArticle
uct.catalogadorWOS
uct.indizacionSCI
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