Theoretical study of the mechanism of the solvent dependency of ESIPT in HBT

2021 ◽  
Author(s):  
Keiji Naka ◽  
Hirofumi Sato ◽  
Masahiro Higashi
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Fluorescence Spectra ◽  
Theoretical Study ◽  
Intramolecular Proton Transfer

2-(2′-hydroxyphenyl)-benzothiazole (HBT) has been widely studied for use as a system for excited-state intramolecular proton transfer. However, the mechanism underlying the solvent dependency of HBT fluorescence spectra remains unclear. In...

scholarly journals Ingenious modification of molecular structure effectively regulates excited-state intramolecular proton and charge transfer: a theoretical study based on 3-hydroxyflavone

RSC Advances ◽  
2018 ◽  
Vol 8 (52) ◽  
pp. 29589-29597 ◽  
Author(s):  
Jianhui Han ◽  
Xiaochun Liu ◽  
Chaofan Sun ◽  
You Li ◽  
Hang Yin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Intramolecular Proton Transfer ◽  
Great Promise ◽  
Fluorescence Sensing

Harnessing ingenious modification of molecular structure to regulate excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) characteristics holds great promise in fluorescence sensing and imaging.

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study

2006 ◽  
Vol 325 (2-3) ◽  
pp. 243-250 ◽  
Author(s):  
Ricard Casadesús ◽  
Oriol Vendrell ◽  
Miquel Moreno ◽  
José M. Lluch ◽  
Keiji Morokuma
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Study ◽  
Intramolecular Proton Transfer ◽  
Singlet Excited State
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