Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: theoretical insights

2017 ◽  
Vol 41 (17) ◽  
pp. 8761-8771 ◽  
Author(s):  
Narissa Kanlayakan ◽  
Khanittha Kerdpol ◽  
Chanatkran Prommin ◽  
Rusrina Salaeh ◽  
Warinthon Chansen ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Proton Donor ◽  
Proton Transfers ◽  
Donor And Acceptor ◽  
Td Dft ◽  
Proton Donors

The effect of proton donors (NH and OH) on ESIPT was investigated using DFT and 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...

TD-DFT Study on the Excited-State Hydrogen Bonding of the p-Cresol–NH3–H2O Complex

2012 ◽  
Vol 23 (4) ◽  
pp. 1029-1038 ◽  
Author(s):  
Yufang Liu ◽  
Caifeng Zhang ◽  
Yonggang Yang ◽  
Dapeng Yang ◽  
Deheng Shi ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Dft Study ◽  
Td Dft
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