A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge

2017 ◽  
Vol 41 (16) ◽  
pp. 8437-8442 ◽  
Author(s):  
Yu-Hui Liu ◽  
Shi-Ming Wang ◽  
Chaoyuan Zhu ◽  
Sheng Hsien Lin
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Double Proton Transfer ◽  
Hydrogen Bonded

The mechanism of excited-state multiple proton transfer reaction is demonstrated to be controlled by a hydrogen-bonded bridge.

scholarly journals A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction

2011 ◽  
Vol 2 (24) ◽  
pp. 3063-3068 ◽  
Author(s):  
Kuo-Chun Tang ◽  
Chyi-Lin Chen ◽  
Hsiao-Han Chuang ◽  
Jien-Lian Chen ◽  
Yi-Ju Chen ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Relay System ◽  
Double Proton Transfer ◽  
Proton Relay

scholarly journals 1,4-bis-(3-hydroxy-4-oxo-4H-chromen-2-yl)-benzene (bis-flavonol): synthesis, spectral properties and principle possibility of the excited state double proton transfer reaction

2012 ◽  
Vol 10 (1) ◽  
pp. 205-215 ◽  
Author(s):  
Denis Svechkarev ◽  
Andrey Doroshenko ◽  
Dmitry Kolodezny
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Luminescent Properties ◽  
Proton Transfer Reaction ◽  
Systematic Investigation ◽  
Chemical Modeling ◽  
Double Proton Transfer ◽  
State Transfer ◽  
Title Molecule

AbstractSynthesis and systematic investigation of the spectral-luminescent properties of “bis-flavonol” {1,4-bis-(3-hydroxy-4-oxo-4H-chromen-2-yl)-benzene} were performed. Hypothetical possibility for the double excited-state proton transfer reaction in bis-flavonol is discussed based on both quantum-chemical modeling and experimental data. Consecutive S1*-state transfer of the two protons of the title molecule is shown to be energetically unfavorable, however, still preserving a possibility for the concerted double proton transfer in the excited dienol form.

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