Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines : A Computational Study

dc.contributor.authorPáez-López, Ricardo D.
dc.contributor.authorGómez-Soto, Miguel Á.
dc.contributor.authorCortés-Hernández, Héctor F.
dc.contributor.authorSolano-Peralta, Alejandro
dc.contributor.authorCastro, Miguel
dc.contributor.authorKroneck, Peter M. H.
dc.contributor.authorSosa-Torres, Martha E.
dc.date.accessioned2025-02-11T08:08:53Z
dc.date.available2025-02-11T08:08:53Z
dc.date.issued2025-01-15
dc.description.versionpublisheddeu
dc.identifier.doi10.3390/inorganics13010022
dc.identifier.ppn1917210809
dc.identifier.urihttps://kops.uni-konstanz.de/handle/123456789/72268
dc.language.isoeng
dc.rightsAttribution 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectoxidative dehydrogenation
dc.subjecthydrogen atom transfer
dc.subjectdensity functional theory
dc.subjectnitrogen radical
dc.subjectdioxygen activation
dc.subjectregio-selective C-H cleavage
dc.subject.ddc570
dc.titleUnderstanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines : A Computational Studyeng
dc.typeJOURNAL_ARTICLE
dspace.entity.typePublication
kops.citation.bibtex
@article{PaezLopez2025-01-15Under-72268,
  title={Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines : A Computational Study},
  year={2025},
  doi={10.3390/inorganics13010022},
  number={1},
  volume={13},
  journal={Inorganics},
  author={Páez-López, Ricardo D. and Gómez-Soto, Miguel Á. and Cortés-Hernández, Héctor F. and Solano-Peralta, Alejandro and Castro, Miguel and Kroneck, Peter M. H. and Sosa-Torres, Martha E.},
  note={Article Number: 22}
}
kops.citation.iso690PÁEZ-LÓPEZ, Ricardo D., Miguel Á. GÓMEZ-SOTO, Héctor F. CORTÉS-HERNÁNDEZ, Alejandro SOLANO-PERALTA, Miguel CASTRO, Peter M. H. KRONECK, Martha E. SOSA-TORRES, 2025. Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines : A Computational Study. In: Inorganics. MDPI. 2025, 13(1), 22. eISSN 2304-6740. Verfügbar unter: doi: 10.3390/inorganics13010022deu
kops.citation.iso690PÁEZ-LÓPEZ, Ricardo D., Miguel Á. GÓMEZ-SOTO, Héctor F. CORTÉS-HERNÁNDEZ, Alejandro SOLANO-PERALTA, Miguel CASTRO, Peter M. H. KRONECK, Martha E. SOSA-TORRES, 2025. Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines : A Computational Study. In: Inorganics. MDPI. 2025, 13(1), 22. eISSN 2304-6740. Available under: doi: 10.3390/inorganics13010022eng
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