scholarly journals Characterization of Proton Coupled Electron Transfer in a Biomimetic Oxomanganese Complex: Evaluation of the DFT B3LYP Level of Theory

2010 ◽  
Vol 6 (3) ◽  
pp. 755-760 ◽  
Author(s):  
Ting Wang ◽  
Gary Brudvig ◽  
Victor S. Batista
Keyword(s):  
Electron Transfer ◽  
Proton Coupled Electron Transfer ◽  
B3lyp Level ◽  
Complex Evaluation

scholarly journals Stepwise N–H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia

2016 ◽  
Vol 7 (9) ◽  
pp. 5736-5746 ◽  
Author(s):  
K. Cory MacLeod ◽  
Sean F. McWilliams ◽  
Brandon Q. Mercado ◽  
Patrick L. Holland
Keyword(s):  
Electron Transfer ◽  
Bond Formation ◽  
Iron Complexes ◽  
Spectroscopic Characterization ◽  
Iron Nitride ◽  
Proton Coupled Electron Transfer

The pathway from N2to NH3at low-coordinate iron complexes is shown through crystallographic and spectroscopic characterization of intermediates, including bridging nitride, imide, and amides. Proton-coupled electron transfer plays a key role in the transformations.

scholarly journals Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

2021 ◽  
Vol 143 (8) ◽  
pp. 3104-3112
Author(s):  
Yusuke Yoneda ◽  
S. Jimena Mora ◽  
James Shee ◽  
Brian L. Wadsworth ◽  
Eric A. Arsenault ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Nuclear Dynamics ◽  
Proton Coupled Electron Transfer

Facile proton-coupled electron transfer enabled by coordination-induced E–H bond weakening to boron

2021 ◽  
Author(s):  
Anthony Wong ◽  
Arunavo Chakraborty ◽  
Deependra Bawari ◽  
Guang Wu ◽  
Roman Dobrovetsky ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Proton Coupled Electron Transfer

Coordination induced bond weakening (CIBW) leads to facile PCET at various E–H bonds.

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