Academic Journal
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis
| العنوان: | Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis |
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| المؤلفون: | Schollhammer, Philippe, Elleouet, Catherine, Petillon, Francois Y, Arrigoni, Federica, Greco, Claudio, Hobballah, Ahmad, Laurans, Maxime |
| المساهمون: | Schollhammer, P, Elleouet, C, Petillon, F, Arrigoni, F, Greco, C, Hobballah, A, Laurans, M |
| بيانات النشر: | Royal Society of Chemistry GB |
| سنة النشر: | 2021 |
| المجموعة: | Università degli Studi di Milano-Bicocca: BOA (Bicocca Open Archive) |
| مصطلحات موضوعية: | hydrogenases, DFT, triiron clusters, bio-inspired, biomimetic |
| الوصف: | A series of triiron clusters [Fe3(CO)5(κ2-dppe)(μ-pdtR2)(μ-pdt)] featuring different combinations of dithiolate bridges have been prepared by using dinuclear and mononuclear precursors, [Fe2(CO)6(μ-xdt)] (xdt = pdt, pdtEt2, pdtBn2, adtBn) and [Fe(CO)2(κ2-dppe)(κ2-pdt)]. Novel triiron compounds, featuring sterically crowded dithiolate bridges (pdtEt2, pdtBn2), were spectroscopically and structurally characterized. Their protonation and redox behaviours are discussed. The effect of the dithiolate bridges on the electrochemical properties (oxidation and reduction) of the complexes [Fe3(CO)5(κ2-dppe)(μ-xdt)(μ-pdt)] has been examined by cyclic voltammetry and rationalized by DFT calculations. Studies on the protonation of these species and their proton reduction behaviour were considered. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | ELETTRONICO |
| اللغة: | English |
| Relation: | info:eu-repo/semantics/altIdentifier/wos/WOS:000678191500005; volume:8; issue:15; firstpage:3659; lastpage:3674; numberofpages:16; journal:INORGANIC CHEMISTRY FRONTIERS; http://hdl.handle.net/10281/301706; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85111574708 |
| DOI: | 10.1039/D1QI00006C |
| الاتاحة: | http://hdl.handle.net/10281/301706 https://doi.org/10.1039/D1QI00006C |
| رقم الانضمام: | edsbas.9ADE3484 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1039/D1QI00006C |
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