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.

TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes

2014 ◽  
Vol 119 (6) ◽  
pp. 2180-2192 ◽  
Author(s):  
Ymène Houari ◽  
Siwar Chibani ◽  
Denis Jacquemin ◽  
Adèle D. Laurent
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Td Dft

A theoretical study on the excited-state intramolecular proton transfer mechanism of 4′-dimethylaminoflavonol chemosensor

2018 ◽  
Vol 66 (1) ◽  
pp. 49-55 ◽  
Author(s):  
Jian Lv ◽  
Guang Yang ◽  
Min Jia ◽  
Jinfeng Zhao ◽  
Xiaoyan Song ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Study ◽  
Intramolecular Proton Transfer ◽  
Transfer Mechanism
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