Role of the hydrogen bond lifetimes and rotations at the water/amorphous silica interface on proton transport

2019 ◽  
Vol 21 (23) ◽  
pp. 12265-12278 ◽  
Author(s):  
Jesse Lentz ◽  
Stephen H. Garofalini

Glass surface/water heterogeneity and proton transfer: H3O+(1) forms, transfers excess proton to other H2O; O(2) takes excess proton from a different H3O+; O(3) forms asymmetric H-bonds to (4), (5), (6) via rotations.

2011 ◽  
Vol 35 (1) ◽  
pp. 156-164 ◽  
Author(s):  
Oscar Domínguez ◽  
Braulio Rodríguez-Molina ◽  
Mario Rodríguez ◽  
Armando Ariza ◽  
Norberto Farfán ◽  
...  

ACS Catalysis ◽  
2021 ◽  
pp. 7915-7927
Author(s):  
Simon L. Dürr ◽  
Olga Bohuszewicz ◽  
Dénes Berta ◽  
Reynier Suardiaz ◽  
Pablo G. Jambrina ◽  
...  

2021 ◽  
Author(s):  
Christophe Jouvet ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii

A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)n. The hidden role of ESPT is revealed.


2019 ◽  
Vol 281 ◽  
pp. 423-430 ◽  
Author(s):  
Matteo Tiecco ◽  
Federico Cappellini ◽  
Francesco Nicoletti ◽  
Tiziana Del Giacco ◽  
Raimondo Germani ◽  
...  

2021 ◽  
Vol 154 (6) ◽  
pp. 064501
Author(s):  
Zeke A. Piskulich ◽  
Damien Laage ◽  
Ward H. Thompson

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