PECaN · Photo-ElectroCatalysis: New activation paradigm
Horizon 2020 — Marie Skłodowska-Curie Actions
- Duration
- 2020-05-01 → 2022-04-30
- EU contribution
- €143,364
- Participants
- 1
- Scheme
- MSCA-IF-EF-ST
Lines connect the coordinator with its partners.
Results in brief
Photo-ElectroCatalysis: New activation paradigm
One of the main problems that is currently being tackled by researchers in chemistry is how to perform reactions selectively. This means, that only the required product is formed, and all other possible reaction pathways leading to degradation of the materials, or formation of side products have to be suppressed. This minimizes the waste and makes separation of the products simple – a hallmark of a successful industrial process. Organic chemical compounds are generally quite stable. In order to engage them in reactions, we need to give them energy – activate them. Traditionally, this has been accomplished by heat, as increased temperature also increases the reaction kinetics. Unfortunately, this approach is in odds with the desire for high selectivity, as the increased temperature speeds up also the unwanted reactions, often leading to decomposition of starting materials and products in the process. The way to overcome this difficulty is catalysis. Currently photocatalysis and electrocatalysis show great promise in development of new reaction processes, alongside with the recently discovered piezoelectric catalysis. These approaches utilize external energy – light (photocaltaysis); electric current (electrocatalysis); mechanical force (piezoelectric catalysis) – and transfer this energy via catalyst to the molecule which we want to activate. Using this approach, we can circumvent the necessity for elevated temperatures, allowing for activation of molecules under mild conditions. Furthermore, renewable energy of sunlight can be used for this purpose, either directly (photocatalysis) of indirectly. This project aims to utilize these activation modes for activation of small organic molecules, leading to their selective transformations. In order to be able to develop efficient processes, we must understand the reaction mechanism. State-of-art quantum-chemical calculations will be used for this purpose.
Data: CORDIS, © European Union
Project objective
Due to a high sustainability and to a straightforward tunability of the energy input (wavelength, redox potential), the use of light and electricity for the activation of organic molecules constitutes an attractive method in the toolkit of the organic chemist. Consequently, photochemistry and electrochemistry are both undergoing a renaissance in the recent decade, mainly in the form of photo- and electro- catalysis. Both of these activation modes share many traits, as they proceed via single electron transfer mechanisms. It is obvious that a method which would combine both photo- and electro- catalysis can take advantage from these similarities, while alleviating the problems encountered with application of photo- or electro- catalysis alone. Yet, combination of these two activation modes was seldom achieved so far.The objective of this action is to develop a catalytic system, which combines photochemical and electrochemical steps in order to achieve the required reduction potential for the activation of challenging substrates. The work will be initiated with a computational benchmarking study aimed at to identify the best available method for the theoretical prediction of redox potentials. This will allow for a rational design of catalytic systems, and eventually the tailoring of a set of new catalysts to specific photo-electro catalytic transformations. To achieve optimal reaction conditions, different cell designs will be tested for a photo-electrochemical test reaction. Finally, the optimized cell and the new catalysts will be applied in radical cyclizations of demanding substrates. The HI is able to provide both equipment as well as know-how in a broad variety of fields, which is imperative for such an interdisciplinary project. The project will boost the fellow’s research skills and help him to kick-start his independent research career in Slovakia.
Original text from CORDIS.
Participants
- UNIVERZITA KOMENSKEHO V BRATISLAVE · BRATISLAVA 1CoordinatorSlovakia
Links
Data: CORDIS, © European Union