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• W2023106039 endingPage "3235" @default.
• W2023106039 startingPage "3227" @default.
• W2023106039 abstract "We have carried out a systematic study of the electrocatalytic activity of metallophthalocyanines (M(II)-Pcs) adsorbed on graphite electrodes for the electro-oxidation of thiols (R-SH) and for the electroreduction of molecular oxygen. We have found for both reactions that when comparing the activity of substituted phthalocyanines of the same metal, plots of log k at constant potential versus the redox potential of the metallophthalocyanine, the rate of the reaction decreases with increasing driving force of the catalyst. In this work we present evidence that this behavior can be rationalized in terms of the donor–acceptor intermolecular chemical hardness (ηDA). The energies of frontier orbitals involved in the estimation of ηDA were calculated using the PM3 semi-empirical theoretical method. For the donor–acceptor pairs the lower is the hardness, the higher is the reactivity." @default.
• W2023106039 created "2016-06-24" @default.
• W2023106039 creator A5007798531 @default.
• W2023106039 date "2001-07-01" @default.
• W2023106039 modified "2023-09-29" @default.
• W2023106039 title "Reactivity of electrodes modified with substituted metallophthalocyanines. Correlations with redox potentials, Hammett parameters and donor?acceptor intermolecular hardness" @default.
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• W2023106039 doi "https://doi.org/10.1016/s0013-4686(01)00614-4" @default.
• W2023106039 hasPublicationYear "2001" @default.
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