Mechanistic model of the oxygen reduction catalyzed by a metal-free porphyrin in one- and two-phase liquid systems

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F13%3A00398341" target="_blank" >RIV/61388955:_____/13:00398341 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.electacta.2012.12.100" target="_blank" >http://dx.doi.org/10.1016/j.electacta.2012.12.100</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.electacta.2012.12.100" target="_blank" >10.1016/j.electacta.2012.12.100</a>

Result language
angličtina
Original language name
Mechanistic model of the oxygen reduction catalyzed by a metal-free porphyrin in one- and two-phase liquid systems
Original language description
Mechanistic model is presented, which allows simulating the experimentally observed catalytic effect of the 5,10,15,20-meso-tetraphenylporphyrin (H2TPP), as well as the effects of H+, tetrakis(pentafluorophenyl)borate anion (TB) and water concentrationson the catalytic rate of the oxygen reduction reaction (ORR) with ferrocene (Fc) in 1,2-dichloroethane (DCE). Model calculations are based on the assumption that the electron transfer between the complex {(H4TPP2+)(TB)O2} and Fc is the rate determining step (r.d.s.) in both the catalytic and electrocatalytic cycle. The model calculations are performed using the reported acid dissociation constants for mono- and diprotonated H2TPP forms, and the equilibrium constants of the extraction of the ligands L =O2, water, or TB from the porphyrin complex {(H4TPP2+)(TB)L} calculated by the DFT methods. The rate constant of r.d.s. evaluated from the initial rates is compared with that obtained by a numeric fit of the experimental Fc+ transients. M
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CG - Electrochemistry
OECD FORD branch
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Project
<a href="/en/project/GAP208%2F11%2F0697" target="_blank" >GAP208/11/0697: Catalysis of the oxygen reduction by metal-free porphyrins at the electrochemically polarized liquid-liquid interfaces</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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