Influence of a Pendant Amine in the Second Coordination Sphere on Proton Transfer at a Dissymmetrically Disubstituted Diiron System Related to the [2Fe]HSubsite of [FeFe]H2ase

2009 ◽  
Vol 48 (1) ◽  
pp. 2-4 ◽  
Author(s):  
Salah Ezzaher ◽  
Jean-François Capon ◽  
Frédéric Gloaguen ◽  
François Y. Pétillon ◽  
Philippe Schollhammer ◽  
...  
2020 ◽  
Vol 56 (1) ◽  
pp. 113-116
Author(s):  
Wen-Yan Tong ◽  
Thu D. Ly ◽  
Tao-Tao Zhao ◽  
Yan-Bo Wu ◽  
Xiaotai Wang

DFT computations establish a detailed reaction mechanism for the first Pd-catalyzed decarbonylative phosphorylation of amides forming C–P bonds, which includes non-covalent interactions as well as proton transfer in the second coordination sphere.


2020 ◽  
Vol 49 (8) ◽  
pp. 2381-2396 ◽  
Author(s):  
Philipp Gotico ◽  
Zakaria Halime ◽  
Ally Aukauloo

The progress in CO2 reduction catalyst design was examined starting from simple metalloporphyrin structures and progressing to three-dimensional active architectures.


2021 ◽  
Vol 12 (13) ◽  
pp. 4779-4788
Author(s):  
Yong Yang ◽  
Mehmed Z. Ertem ◽  
Lele Duan

The amide NH group decreases the overpotential of Mn-based CO2 reduction catalysts by promoting the dimer and protonation-first pathways in the presence of H2O and enhances the CO2 electroreduction activity by facilitating C–OH bond cleavage.


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