Influence of cyano substituents on the electron density and catalytic activity towards the oxygen reduction reaction for iron phthalocyanine. The case for Fe(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyanine

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dc.contributor.authorGovan, Joseph
dc.contributor.authorAbarca, Gabriel
dc.contributor.authorAliaga, Carolina
dc.contributor.authorSanhueza, Byran
dc.contributor.authorOrellana, Walter
dc.contributor.authorCárdenas-Jirón, Gloria
dc.contributor.authorZagal, José H.
dc.contributor.authorTasca, Federico
dc.date.accessioned2022-06-13T17:08:15Z
dc.date.available2022-06-13T17:08:15Z
dc.date.issued2020-09
dc.descriptionIndexación: Scopus.es
dc.description.abstractIron(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyanine (OCNFePc), was tested as a catalyst for the oxygen reduction reaction (ORR) adsorbed on carbon nanotubes. The composite was analyzed spectroscopically and electrochemically characterized at pH 13 and pH 1. The composite showed close to 4 electron processes at pH 13. Computational analysis indicates that the O2 molecule binds end-on to the metal center and that the dioxygen molecule is dissociated on both the Fe metal center and the corral ring. An Analysis of the molecular electrostatic potential confirms the behavior of cyano residues as electron-withdrawing moieties in OCNFePc. As a result of its catalytic behavior and theoretical analysis of its O2 binding energy, OCNFePc was placed in a high position on a volcano correlation of similar phthalocyanine composites. © 2020 The Authorses
dc.description.urihttps://www-sciencedirect-com.recursosbiblioteca.unab.cl/science/article/pii/S1388248120301351?via%3Dihub
dc.identifier.citationElectrochemistry Communications Open Access Volume 118 September 2020 Article number 106784es
dc.identifier.doi10.1016/j.elecom.2020.106784
dc.identifier.issn13882481
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/22784
dc.language.isoenes
dc.publisherElsevier Inc.es
dc.subjectCarbon nanotubeses
dc.subjectCyano substituentses
dc.subjectElectrocatalysises
dc.subjectOxygen Reduction Reactiones
dc.subjectPhthalocyanineses
dc.subjectVolcano correlationes
dc.titleInfluence of cyano substituents on the electron density and catalytic activity towards the oxygen reduction reaction for iron phthalocyanine. The case for Fe(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyaninees
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