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 of Solvent Effects on the Intramolecular Charge Transfer of a Hemicyanine Dye

1998 ◽  
Vol 102 (17) ◽  
pp. 2739-2748 ◽  
Author(s):  
Xuan Cao ◽  
Robert W. Tolbert ◽  
Jeanne L. McHale ◽  
W. D. Edwards
Keyword(s):  
Charge Transfer ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Hemicyanine Dye

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.

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