Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer: Comparison of Explicit and Implicit Solvent Simulations

2012 ◽  
Vol 116 (26) ◽  
pp. 7695-7708 ◽  
Author(s):  
Benjamin Auer ◽  
Alexander V. Soudackov ◽  
Sharon Hammes-Schiffer
Keyword(s):  
Electron Transfer ◽  
Implicit Solvent ◽  
Nonadiabatic Dynamics ◽  
Proton Coupled Electron Transfer

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol–Amine Complex

2015 ◽  
Vol 119 (6) ◽  
pp. 2758-2768 ◽  
Author(s):  
Puja Goyal ◽  
Christine A. Schwerdtfeger ◽  
Alexander V. Soudackov ◽  
Sharon Hammes-Schiffer
Keyword(s):  
Electron Transfer ◽  
Nonadiabatic Dynamics ◽  
Proton Coupled Electron Transfer ◽  
Amine Complex

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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