Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction

2008 ◽  
Vol 456 (4-6) ◽  
pp. 135-140 ◽  
Author(s):  
Pablo Jaque ◽  
Alejandro Toro-Labbé ◽  
Peter Politzer ◽  
Paul Geerlings
Keyword(s):  
Proton Transfer ◽  
Force Constant ◽  
Transfer Reaction ◽  
Reaction Force ◽  
Proton Transfer Reaction ◽  
Intramolecular Proton Transfer ◽  
Force Constants ◽  
Vibrational Modes ◽  
Reaction Force Constant

Effects of different substituents of methyl 5-R-salicylates on the excited state intramolecular proton transfer process

2018 ◽  
Vol 20 (6) ◽  
pp. 4208-4215 ◽  
Author(s):  
Yongqing Li ◽  
Yanzhen Ma ◽  
Yunfan Yang ◽  
Wei Shi ◽  
Ruifang Lan ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Process ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Intramolecular Proton Transfer ◽  
Hydroxyl Group ◽  
Highly Sensitive ◽  
Proton Transfer Process

The proton transfer reaction in methyl 5-R-salicylate is found to be highly sensitive to the presence of specific substituents in resonance with the hydroxyl group, leading to different fluorescence behaviors of methyl 5-R-salicylate with different substituents.

scholarly journals Elucidating the Catalytic Role of Mg(II) in the Intramolecular Proton Transfer Reaction in Thymine

2017 ◽  
Vol 56 (3) ◽  
Author(s):  
Stefan Vogt-Geisse ◽  
Soledad Gutiérrez-Oliva ◽  
Bárbara Herrera ◽  
Alejandro Toro-Labbé
Keyword(s):  
Proton Transfer ◽  
Catalytic Effect ◽  
Reaction Force ◽  
Physical Nature ◽  
Proton Transfer Reaction ◽  
Intramolecular Proton Transfer ◽  
Force Analysis ◽  
Catalytic Role ◽  
The Difference

In the framework of the reaction force analysis a study of the mechanism of the 1-3 intramolecular proton transfer in free and Mg (II) coordinated Thymine was done in terms of the reaction electronic flux and Wiberg bond orders. Profiles of these properties evidentiated differences between the proton transfer mechanisms induced by the presence of Mg(II) cation. A significative lowering in the activation energy put forward the catalytic effect of Mg. The reaction force analysis allows a precise identification of the catalytic effect thus uncovering the physical nature of activation energies. While in the free Thymine electronic polarization and transfer processes are present separately, in the Mg(II) coordinated Thymine both effects are observed simultaneously and are localized on the ring in the molecular topology. It is argued that the difference in the charge transfer mechanism leads to a more stable enol form in the Mg(II) coordinated Thymine.

Intramolecular Proton Transfer Reaction and Solvent Effects in 2-(3-Mercapto-2-pyridyl)benzimidazole

2010 ◽  
Vol 26 (01) ◽  
pp. 141-148 ◽  
Author(s):  
PENG Hong-Liang ◽  
◽  
◽  
YU Xian-Yong ◽  
YI Ping-Gui ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Solvent Effects ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Intramolecular Proton Transfer
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