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Title: Effect of “X” Ligands on the Photocatalytic Reduction of CO 2 to CO with Re(pyridylNHC-CF 3 )(CO) 3 X Complexes: Effect of “X” Ligands on the Photocatalytic Reduction of CO 2 to CO with Re(pyridylNHC-CF 3 )(CO) 3 X Complexes
Authors:
; ; ; ; ; ; ;
Award ID(s):
1800281 1757888 1664998
Publication Date:
NSF-PAR ID:
10166603
Journal Name:
European Journal of Inorganic Chemistry
Volume:
2020
Issue:
19
Page Range or eLocation-ID:
1844 to 1851
ISSN:
1434-1948
Sponsoring Org:
National Science Foundation
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  1. Abstract

    The ever‐expanding need for renewable energy can be addressed in part by photocatalytic CO2reduction to give fuels via an artificial photosynthetic process driven by sunlight. A series of rhenium photocatalysts are evaluated in the photocatalytic CO2reduction reaction and via photophysical, electrochemical, and computational studies. The impact of various electron withdrawing substituents on the aryl group of the pyNHC‐aryl ligand along with the impact of extending conjugation along the backbone of the ligand is analyzed. A strong correlation between excited‐state lifetimes, photocatalytic rates, and computationally determined dissociation energy of the labile ligand of these complexes is observed. Additionally, computed orbital analysis provides an added understanding, which allows for prediction of the potential impact of an electron withdrawing substituent on photocatalysis.