Addition/Correction pubs.acs.org/JPCL
Correction to “Theoretical Insights into Electrochemical CO2 Reduction Mechanisms Catalyzed by Surface-Bound Nitrogen Heterocycles” John A. Keith* and Emily A. Carter* J. Phys. Chem. Lett. 2013, 4 (23), 4058−4063. DOI: 10.1021/jz4021519
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ith this Addition/Correction, we correct the drawings for Scheme 1 corresponding to surface-bound DHP mechanisms. The text of the Letter briefly mentions a possible reaction process where a surface-bound hydride might transfer to a surface-bound pyridine with the concomitant transfer of a proton. While the original text did not specify to which atoms these processes would occur, or the pathway by which electrons would be transferred, several have noted that drawing the hydride and proton transfers as done in the original scheme is chemically counterintuitive. We note that the actual characters of surfacebound intermediates within an electrode double layer are largely unknown, and all possibilities warrant consideration; however, we admittedly agree that the scheme as drawn was chemically implausible. The revised scheme shows two mechanisms that would involve p-DHP or o-DHP species that are described in the main text. Reaction mechanisms are now drawn with chemically plausible steps, but future studies should leave open other possible mechanisms that would account for two net H atom transfers at different electrochemical conditions. This correction does not change any of the conclusions in our paper. Scheme 1
© XXXX American Chemical Society
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DOI: 10.1021/acs.jpclett.5b00170 J. Phys. Chem. Lett. 2015, 6, 568−568
