Solvent polarity dependent excited state hydrogen bond effects and intramolecular double proton transfer mechanism for 2-hydroxyphenyl-substituted benzo[1,2-d:4,5-d’]bisimidazole system

2020 ◽  
pp. 119394
Author(s):  
Jinfeng Zhao ◽  
Bing Jin
Keyword(s):  
Hydrogen Bond ◽  
Excited State ◽  
Proton Transfer ◽  
Solvent Polarity ◽  
Transfer Mechanism ◽  
Double Proton Transfer

A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

2015 ◽  
Vol 17 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Yanling Cui ◽  
Jing Wang ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Transfer Mechanism ◽  
Double Proton Transfer ◽  
Excited State Proton Transfer ◽  
Acid Acid ◽  
Transfer Mechanisms

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.

Unravelling the solvent polarity effect on the excited state intramolecular proton transfer mechanism of the 1- and 2-salicylideneanthrylamine. A TD-DFT case study

2019 ◽  
Vol 21 (2) ◽  
pp. 915-928 ◽  
Author(s):  
Wilver A. Muriel ◽  
Rodrigo Morales-Cueto ◽  
William Rodríguez-Córdoba
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Solvent Polarity ◽  
Intramolecular Proton Transfer ◽  
Transfer Mechanism ◽  
Polarity Effect ◽  
Td Dft

TD-DFT has been used to investigate the relaxation pathways of 1- and 2-salicylideneanthrylamine in different solvent environments.

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