Project description DEENESFRITPL Elucidating the mechanisms of transition metal photoredox reactions Photoredox catalysis – a branch of catalysis that harnesses light to accelerate a chemical reaction via single-electron transfer events – provides an efficient route to the construction of new bonds. Despite the high number and growing complexity of bond transformations, few spectroscopic and computational studies have been carried out on photoredox mechanisms. The EU-funded PhotoRedOx project plans to conduct high-level spectroscopy studies involving photon energies spanning 10 orders of magnitude and 15 orders of magnitude for observation time of molecular events. Experimental data will guide the design of ligand molecules so that they enhance their reactivity with a targeted bond. Show the project objective Hide the project objective Objective Photoredox catalysis is an emerging and powerful methodological approach for accomplishing bond constructions in organic chemistry and utilizes photosensitizers to convert photon energy into chemical potential to drive photo-induced C–C/C–X couplings and C–H bond activations. Given catalysis can be light-activated, this methodology is considered environmentally friendly and sustainable. To date, the three main modes of action are: 1) single electron transfers (SETs) to initiate radical coupling reactions; 2) SETs to simultaneously generate free radicals and activate transition metal catalysis (i.e. dual photoredox); and 3) energy transfer to or direct excitation of a transition metal catalyst. While the number and complexity of bond transformations is rapidly increasing, there are few spectroscopic or computational studies of photoredox mechanisms, largely due to the complexity and interplay between excited state dynamics and reactive intermediates. The applicant will use a variety of high-level spectroscopies spanning 10 orders of magnitude in photon energy and 15 orders of magnitude in time to observe molecular events from femtoseconds after light absorption to individual steps in the reaction. Experimental data guide ligand design to tune ground and excited state structure, regioselectivity, or alter reactivity for new bond constructions. Together, the methodologies allow to evaluate energetics of reaction coordinates, define mechanisms, estimate redox activity of intermediates, and map excited state potential energy surfaces to define key electronic contributions from frontier molecular orbitals. This work will be communicated at local, national, and international seminars and conferences. Major findings will be disseminated via publication in high-impact scientific journals. Importantly, the applicant’s training at the host institution and the returning phase will be invaluable for accomplishing his goal to obtain a position at a major European University. Fields of science natural scienceschemical sciencesorganic chemistrynatural scienceschemical sciencescatalysisnatural sciencesphysical sciencestheoretical physicsparticle physicsphotonsnatural sciencesphysical sciencesopticsspectroscopy Programme(s) H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions Main Programme H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility Topic(s) MSCA-IF-2019 - Individual Fellowships Call for proposal H2020-MSCA-IF-2019 See other projects for this call Funding Scheme MSCA-IF-GF - Global Fellowships Coordinator USTAV ORGANICKE CHEMIE A BIOCHEMIE, AV CR, V.V.I. Net EU contribution € 255 756,24 Address Flemingovo nam. 542/2 16610 Praha 6 Czechia See on map Region Česko Praha Hlavní město Praha Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 Partners (1) Sort alphabetically Sort by Net EU contribution Expand all Collapse all Partner Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement. CALIFORNIA INSTITUTE OF TECHNOLOGYCORP United States Net EU contribution € 0,00 Address East california boulevard 1200 91125 Pasadena See on map Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 177 265,92
