Selective Complexation of Cyanide and Fluoride Ions with Ammonium Boranes: A Theoretical Study on Sensing Mechanism Involving Intramolecular Charge Transfer and Configurational Changes

2017 ◽  
Vol 121 (19) ◽  
pp. 3757-3767 ◽  
Author(s):  
Haamid R. Bhat ◽  
Prakash C. Jha
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Fluoride Ions ◽  
Sensing Mechanism ◽  
Selective Complexation

A theoretical study on anion sensing mechanism of multi-phosphonium triarylboranes: intramolecular charge transfer and configurational changes

2017 ◽  
Vol 19 (22) ◽  
pp. 14811-14820 ◽  
Author(s):  
Haamid R. Bhat ◽  
Prakash C. Jha
Keyword(s):  
Charge Transfer ◽  
Fluorescence Quenching ◽  
Density Functional ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Functional Level ◽  
Anion Sensing ◽  
Absorption And Emission ◽  
Sensing Mechanism ◽  
Emission Studies

A theoretical study of the fluorescence quenching of multiphosphonium TABs in anion sensing involving intramolecular charge transfer and developing a new density functional level of theory for their absorption and emission studies.

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.

The sensing mechanism of fluoride anion for a novel molecule D2: Desilylation and intramolecular charge transfer

2018 ◽  
Vol 65 (8) ◽  
pp. 1014-1018 ◽  
Author(s):  
Min Jia ◽  
Guang Yang ◽  
Yuanyuan Guo ◽  
Xiaoyan Song ◽  
Qiaoli Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Fluoride Anion ◽  
Sensing Mechanism

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.

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