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Unveiling the key role of excited-state hydrogen bonding in homogeneous photocatalytic CO2 reduction.
- Source :
-
New Journal of Chemistry . 5/7/2024, Vol. 48 Issue 17, p7982-7989. 8p. - Publication Year :
- 2024
-
Abstract
- In this paper, we investigated the role of excited-state hydrogen bonding in the photocatalytic carbon dioxide reduction reaction (CO2RR) utilizing Rose Bengal as a catalyst, through a combined experimental and theoretical approach. Experiments validated the successful conversion of CO2 to CO in a homogeneous aqueous solution system under light irradiation, without additional photosensitizers or sacrificial agents. Theoretically, the DFT/TDDFT calculations modeled the catalyst-reactants as a hydrogen-bonded complex (HBC), understanding the energy, hydrogen, and electron transfer mechanisms induced by excited-state hydrogen bonding. Combining the photophysical and photochemical insights revealed the complete catalytic cycle, identifying the water oxidation process as the rate-limiting step in the entire photocatalytic CO2RR process. Experimental and computational results provide molecular-level insights into the structure–activity relationships. This work enhances comprehension of the pivotal role of excited-state hydrogen bonding and holds significant reference value for enhancing the conversion efficiency in the photocatalytic CO2RR. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 11440546
- Volume :
- 48
- Issue :
- 17
- Database :
- Academic Search Index
- Journal :
- New Journal of Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 176911860
- Full Text :
- https://doi.org/10.1039/d3nj05851d