Project's information

Project's title Investigation and synthesis of transition-metal complexes to catalyze for Hydrogen evolution by proton reduction
Project’s code GUST.STS.ĐT2020-HH11
Research hosting institution Graduate University of Science and Technology
Project leader’s name Dr. To Hai Tung
Project duration 01/09/2020 - 30/09/2022
Project’s budget 300 million VND
Classify Excellent
Goal and objectives of the project

Research and synthesis of transition-metal complexes (Co; Ni; Mo) based on ligands having the good coordinating ability towards developing homogenous electrochemical catalyst systems for Hydrogen Evolution Reaction (HER). Further studies on the mechanism of action as well as evaluating the stability of catalyst will also be conducted.

Main results

Theoretical results:
- The project has studied and successfully synthesized diamine ligands having similar structure of traditional salen ligands to form complexes with transition metals: Cobalt, Nickel and Molybdenum. The ligand is synthesized with simple conditions, high efficiency and good complexing ability, completely meeting the requirements of complex studies.
- Cobalt metal complexes were structurally determined by X-ray crystallography and confirmed the formation of dicobalt complexes. These cobalt complexes were investigated for the electrocatalytic activity of the HER reaction in organic medium (DMF) with the proton source as acetic acid. The stability of the catalyst was also confirmed through long-term electrolysis catalytic activity. Dicobalt complexes have been shown to be very good catalysts for HER, especially since this type of catalysis is currently only very limited.
- The complexes of Nickel and Molybdenum have given the proposed structures based on analysis of modern physical methods, but the exact structure is still being studied. Initial investigations on the catalytic activity for the HER have been carried out and obtained positive results.
- Besides that, when studying preparation of ligands, a new approach to synthesize pyrimidine-typed heterocycles based on the conditions of the Petrenko-Krishenko reaction was discovered. In-depth structural analyzes (X-ray crystallography and DFT calculations) helped to indicate the formation of an unusual product compared with the theory of substituent configurations.

Novelty and actuality and scientific meaningfulness of the results

- Investigation of electrochemical catalytic activities of dicobalt complexes for HER. Both catalysts shown good catalytic activity and durability
- A new approach for pyrimidine-typed heterocycles preparation was also found.

Products of the project

- Scientific papers in referred journals (list):
+ “Mo- and W-molecular catalysts for the H2 evolution, CO2 reduction and N2 fixation”, Coordination Chemistry Reviews, 2022, 457, 214400.
+ “Electrocatalytic H2 evolution using Binuclear cobalt complexes as catalysts”, RSC Advances, 2022, 12, 26428.
+ “A new approach to prepare pyrimidine-typed heterocycles based on Petrenko-Kritschenko synthesis”, Chemistry of Heterocyclic Compounds, 2022, 58, 608.
- Other products (if applicable):
+ Graduation interneship supervision for two 3rd-year undergraduate students in Chemistry (with Decision on accrediting graduation internship topics and supervisors for Bachelor students, USTH).

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