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
Author
dc.contributor.author
Govan, Joseph
Author
dc.contributor.author
Abarca, Gabriel
Author
dc.contributor.author
Aliaga, Carolina
Author
dc.contributor.author
Sanhueza, Byran
Author
dc.contributor.author
Orellana, Walter
Author
dc.contributor.author
Cárdenas Jirón, Gloria
Author
dc.contributor.author
Zagal, José H.
Author
dc.contributor.author
Tasca, Federico
Admission date
dc.date.accessioned
2021-02-16T18:37:15Z
Available date
dc.date.available
2021-02-16T18:37:15Z
Publication date
dc.date.issued
2020
Cita de ítem
dc.identifier.citation
Electrochemistry Communications 118 (2020) 106784
es_ES
Identifier
dc.identifier.other
10.1016/j.elecom.2020.106784
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/178444
Abstract
dc.description.abstract
Iron(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.
es_ES
Patrocinador
dc.description.sponsorship
Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)
CONICYT FONDECYT
1181037
1181840
11170879
1170480
1171719
USACH, CONICYT-FONDEQUIP
EQM140060
CEDENNA
AFB180001
DICYT POSTDOC
021541AV
021942T
Millenium
RC120001
Anillo ACT 192175
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