Cycle / Years
40th cycle [2024-2027]
Contacts
Supervisor(s)
Prof. Fabio Marchetti, Prof. Gianluca Ciancaleoni
Title of the PhD project
New [FeFe]-Hydrogenase mimics for electrocatalytic H2 production
Abstract of the PhD project
The efficient and sustainable production of molecular hydrogen (H2), for instance via electrochemical processes, represents a fundamental step in the transition to a carbon-neutral economy. Many efforts have been directed to developing efficient proton reduction catalysts based on earth-abundant metals. In this context, nature provides an elegant example with [FeFe]-hydrogenase enzymes.
The main objective of this PhD project is the design and synthesis of new, easily-accessible and efficient water-soluble complexes that mimic [FeFe]-hydrogenase, and their evaluation in the electrocatalytic production of H2 from acidic solutions. DFT studies will assist in selecting ligands and substituents, and elucidating mechanistic aspects, to provide robust structure/activity relationships.
Academic Fields and Disciplines (SSD), main and secondary
CHIM03, CHIM02
Educational and third mission activities
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International
9th May 2025-10th Jult 2025: Two months studying period in the research group of Professor Wolfgang Weigand at Friedrich Schiller University, Jena (Germany).
Activities: Synthesis of classic dinuclear iron mimetics complexes of [FeFe]-hydrogenase. Synthesis of conjugated organic molecules to be used as photosensitive ligands for the mimetics. Cyclic voltammetry measurements for electrochemical characterization. Photocatalysis measurements to evaluate photocatalytic activity.
Publications
• A. Cinci, G. Ciancaleoni, S. Zacchini, F. Marchetti, “Cyanide Addition to Diiron and Diruthenium Bis-Cyclopentadienyl Complexes with Bridging Hydrocarbyl Ligands”, Inorganics, 2024, 12, 147 (DOI: 10.3390/inorganics12060147).
• L. Biancalana, N. Di Fidio, D. Licursi, S. Zacchini, A. Cinci, A. M. Raspolli Galletti, F. Marchetti, C. Antonetti, “New ruthenium(II) isocyanide catalysts for the transfer hydrogenation of ethyl levulinate to γ-valerolactone in C2-C6 alcohols”, J. of Catalysis, 2024, 439, 115761 (DOI: 10.1016/j.jcat.2024.115761).
Oral communications at conferences
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Poster communications at conferences
• S. Stampatori, A. Cinci, D. Riccio, S. Zacchini, F. Marchetti, G. Pampaloni, L. Biancalana, “New Reactivity Pathways in Ruthenium(II) η6-Arene Complexes”, Chemistry for the Future International Conference, University of Pisa, 2023 June 28-30, poster presentation.
• A. Cinci, T. Funaioli, G. Ciancaleoni, L. Biancalana, S. Zacchini, F. Marchetti, “New findings on [Fe2Cp2(CO)4] toward the development of potential electrocatalysts for H2 production”, ISOC XV International School of Organometallic Chemistry, University of Camerino, 2025 September 4-7, poster presentation.
• A. Cinci, T. Funaioli, G. Ciancaleoni, L. Biancalana, S. Zacchini, F. Marchetti, “New [FeFe]-hydrogenase mimics for electrocatalytic H2 production”, INORG25 50th Conference of the Divisione di Chimica Inorganica SCI, Centro congressi Federico II, 2025 September 9-12, poster presentation.
Other achievements
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Funding
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