Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory

2014 ◽  
Vol 16 (18) ◽  
pp. 8661-8666 ◽  
Author(s):  
Marika Savarese ◽  
Paolo A. Netti ◽  
Nadia Rega ◽  
Carlo Adamo ◽  
Ilaria Ciofini
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Transfer Reactions ◽  
Td Dft ◽  
Excited State Proton Transfer ◽  
Proton Transfer Reactions ◽  
Proton Shuttling

The mechanism of intermolecular proton shuttling involved in a prototypical excited state proton transfer reaction is disclosed using DFT and TD-DFT.

Exploring the Metric of Excited State Proton Transfer Reactions

2013 ◽  
Vol 117 (50) ◽  
pp. 16165-16173 ◽  
Author(s):  
Marika Savarese ◽  
Paolo A. Netti ◽  
Carlo Adamo ◽  
Nadia Rega ◽  
Ilaria Ciofini
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reactions ◽  
Excited State Proton Transfer ◽  
Proton Transfer Reactions
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