Heteroleptic heterometallic N-bridged porphyrinoids: The effects of macrocycle and metal on oxidation reaction

dc.contributor.authorYuceel, Cigdem
dc.contributor.authorSahin, Zeynel
dc.contributor.authorYildiz, Dilara Berna
dc.contributor.authorDede, Yavuz
dc.contributor.authorDumoulin, Fabienne
dc.contributor.authorIsci, Umit
dc.date.accessioned2025-10-29T11:26:59Z
dc.date.issued2025
dc.departmentFakülteler, Temel Bilimler Fakültesi, Kimya Bölümü
dc.description.abstractHeteroleptic heterobimetallic mu -nitrido porphyrinoids MnPor-N-FePc and MnPc-N-FePor were prepared by using Mn-N3 porphyrinoid with corresponding iron porphyrinoid derivative and characterized by FT-IR, HRMS, MALDI-MS, UV-vis, EPR and Raman spectroscopic techniques. The characteristic Mn-N-Fe bands of both heteroleptic heterobimetallic mu -nitrido complexes were clearly confirmed by FT-IR and Raman spectroscopies. These two novel complexes were tested in oxidation of 2,3,5-trimethylphenol to 2,3,5-trimethyl-1,4-benzoquinone. Interestingly, the heteroleptic heterobimetallic mu -nitrido porphyrinoid MnPor-N-FePc was more efficient catalyst than MnPc-N-FePor. Computational studies explain that the different catalytic efficiency between MnPor-N-FePc and MnPc-N-FePor depends on the thermodynamic stability of the intermediates of both complexes on oxidation reaction. The intermediates of MnPor-N-FePc have better thermodynamic stability than MnPc-N-FePor.
dc.description.sponsorshipScientific and Technological Research Council of Turkiye TUBITAK [217Z091]
dc.description.sponsorshipTUBITAK [117Z337]
dc.description.sponsorshipGazi University BAP [5973-05/2016-02]
dc.description.sponsorshipUniversity of Helsinki
dc.description.sponsorshipTUBITAK-BIDEB [2211-E]
dc.description.sponsorshipThe Scientific and Technological Research Council of Turkiye TUBITAK (project 217Z091) is gratefully acknowledged. Y.D. thanks TUBITAK for funds through project 117Z337. Gazi University BAP is acknowledged for resources (5973-05/2016-02) . Y.D. thanks Prof. Dage Sundholm of University of Helsinki for supporting his sabbatical stay and Magnus Ehrnrooth foundation for a fellowship. D.B.Y. thanks TUBITAK-BIDEB for 2211-E scholarship. The numerical calculations reported in paper were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources).
dc.identifier.doi10.1016/j.jcat.2025.116220
dc.identifier.issn0021-9517
dc.identifier.issn1090-2694
dc.identifier.orcid0000-0003-4854-8422
dc.identifier.scopus2-s2.0-105006780296
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.jcat.2025.116220
dc.identifier.urihttps://hdl.handle.net/20.500.14854/10528
dc.identifier.volume450
dc.identifier.wosWOS:001502388000002
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAcademic Press Inc Elsevier Science
dc.relation.ispartofJournal of Catalysis
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20251020
dc.subjectPhthalocyanine
dc.subjectN -bridged
dc.subjectHeteroleptic
dc.subjectHeterometallic
dc.subjectOxidation
dc.subjectQuantum calculation
dc.titleHeteroleptic heterometallic N-bridged porphyrinoids: The effects of macrocycle and metal on oxidation reaction
dc.typeArticle

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