Protonation induced shifting of electron-accepting centers in intramolecular charge transfer chromophores: a theoretical study

2014 ◽  
Vol 16 (37) ◽  
pp. 20221-20227 ◽  
Author(s):  
Tao Tang ◽  
Hong Chi ◽  
Tingting Lin ◽  
FuKe Wang ◽  
Chaobin He
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer

A new series of chameleonic molecules containing azulene and benzothiadiazole (BT) were designed and synthesized.

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.

THEORETICAL STUDY OF PHOTO-PHYSICAL PROCESSES IN 2-ARYL SUBSTITUTED INDOLES

2012 ◽  
Vol 11 (06) ◽  
pp. 1311-1322
Author(s):  
ZILONG ZHENG ◽  
YI ZHAO ◽  
SHINKOH NANBU
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Photochemical Reaction ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Ab Initio Method ◽  
Physical Processes ◽  
Strong Fluorescence ◽  
Neutral Compounds ◽  
Linear Reaction

Ab initio method is used to figure out the structures and photo-physical processes of 2-aryl substituted indoles, 2-phenylindole (2PI), 2-naphthylindole (2NI), and 2-anthracenylindole (2AI), synthesized experimentally with strong fluorescence. The results show that the photoabsorption and fluorescence measured experimentally correspond to the monovalent anions deprotonated in the indole NH end, other than the neutral compounds. During the photochemical reaction, the angles between the planes of the indole and 2-aryl substituted moieties keep unchanged, but the photo-induced intramolecular charge transfer can immediately occur in the anions. Furthermore, the photo-physical processes after photoexcitation are analyzed by using a linear reaction coordinate.

Raman and Theoretical Study of the Solvent Effects on the Sizable Intramolecular Charge Transfer in the Push−Pull 5-(Dimethylamino)-5‘-nitro-2,2‘-bithiophene

2005 ◽  
Vol 109 (39) ◽  
pp. 8724-8731 ◽  
Author(s):  
Enrique Ortí ◽  
Pedro M. Viruela ◽  
Rafael Viruela ◽  
Franz Effenberger ◽  
Víctor Hernández ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer

Theoretical study on the sensing mechanism of chalcone-based fluorescence probe for detecting hydrogen sulfide and biothiols

2021 ◽  
Author(s):  
Yunjian Cao ◽  
Lingling Wang ◽  
Ziqi Liu ◽  
Chaofan Sun ◽  
Yuanzuo Li
Keyword(s):  
Hydrogen Sulfide ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Fluorescent Probe ◽  
Theoretical Study ◽  
Fluorescence Probe ◽  
Intramolecular Charge Transfer ◽  
Intramolecular Proton Transfer ◽  
Twisted Intramolecular Charge Transfer

A fluorescent probe 2′-(2,4-dinitro-phenoxy)-4-(dimethylamino) chalcone (Pr1, Spectrochim. Acta, Part A 2021, 244, 118839)based on the twisted intramolecular charge transfer (TICT) and excited state intramolecular proton transfer (ESIPT) was designed and...

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