Characterizing the Mechanism of the Double Proton Transfer in the Formamide Dimer

2011 ◽  
Vol 115 (12) ◽  
pp. 2650-2657 ◽  
Author(s):  
Jacqueline C. Hargis ◽  
Esteban Vöhringer-Martinez ◽  
H. Lee Woodcock ◽  
Alejandro Toro-Labbé ◽  
Henry F. Schaefer
Keyword(s):  
Proton Transfer ◽  
Double Proton Transfer ◽  
The Double Proton Transfer

Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study

2019 ◽  
Vol 43 (48) ◽  
pp. 19107-19119 ◽  
Author(s):  
Chanatkran Prommin ◽  
Khanittha Kerdpol ◽  
Tinnakorn Saelee ◽  
Nawee Kungwan
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Photophysical Properties ◽  
Dynamic Study ◽  
Hydroxyl Group ◽  
Single Proton ◽  
Double Proton Transfer ◽  
Td Dft ◽  
The Double Proton Transfer

The effects of π-expansion, an extra hydroxyl group, and substituents on the photophysical properties, the excited state single proton transfer and the double proton transfer of 2-hydroxybenzaldehyde and its relatives have been theoretically investigated using TD-DFT.

scholarly journals Quantum equilibration of the double-proton transfer in a model system porphine

2020 ◽  
Vol 22 (39) ◽  
pp. 22332-22341
Author(s):  
Guillermo Albareda ◽  
Arnau Riera ◽  
Miguel González ◽  
Josep Maria Bofill ◽  
Iberio de P. R. Moreira ◽  
...  
Keyword(s):  
Proton Transfer ◽  
State Of The Art ◽  
Model System ◽  
Femtosecond Spectroscopy ◽  
Double Proton Transfer ◽  
Coherent Process ◽  
The Double Proton Transfer

The equilibration of the double proton transfer in porphine is demonstrated using a model system Hamiltonian. This highly coherent process could be witnessed experimentally using state-of-the-art femtosecond spectroscopy.

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