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

Molecular Design of Amino-type Hydrogen-Bonding Molecules for Excited-State Intramolecular Proton Transfer (ESIPT)-based Fluorescent Probe using TD-DFT Approach

2021 ◽  
Author(s):  
Narissa Kanlayakan ◽  
Nawee Kungwan
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Proton Transfer ◽  
Fluorescent Probe ◽  
Fluorescent Probes ◽  
Molecular Design ◽  
Intramolecular Proton Transfer ◽  
Proton Donor ◽  
Molecular Screening ◽  
Td Dft

A molecular screening for fluorescent probes harnessing excited-stated intramolecular proton transfer (ESIPT) of NH-type molecules having aminophenyl or tosylaminophenyl as a proton donor and benzimidazole, benzoxazole, benzothiazole, or imidazo[1,2-a]pyridine as...

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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