Consideration of Molecular Structure in the Excited State to Design New Luminogens with Aggregation‐Induced Emission

2019 ◽  
Vol 58 (26) ◽  
pp. 8632-8639 ◽  
Author(s):  
Kenta Kokado ◽  
Kazuki Sada
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Aggregation Induced Emission

scholarly journals Theoretical research on excited-state intramolecular proton coupled charge transfer modulated by molecular structure

RSC Advances ◽  
2018 ◽  
Vol 8 (52) ◽  
pp. 29662-29669
Author(s):  
Dapeng Yang ◽  
Guang Yang ◽  
Min Jia ◽  
Xiaoyan Song ◽  
Qiaoli Zhang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Energy Barrier ◽  
Theoretical Research ◽  
Small Energy

Charge transfer from O1 to O2 of 3HFN results in proton H1 transfer from O1 to O2 in S1 state, while small energy barrier facilitates proton H1 transfer from O1 to N1 in S1 state of diCN-HBO, which results in charge transfer from O1 to di-cyano.

Excited state dynamics for hybridized local and charge transfer state fluorescent emitters with aggregation-induced emission in the solid phase: a QM/MM study

2017 ◽  
Vol 19 (44) ◽  
pp. 29872-29879 ◽  
Author(s):  
Jianzhong Fan ◽  
Lei Cai ◽  
Lili Lin ◽  
Chuan-Kui Wang
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Solid Phase ◽  
Charge Transfer State ◽  
Aggregation Induced Emission ◽  
Excited State Dynamics ◽  
Transfer State

Investigation on the excited state dynamics to reveal the AIE and HLCT mechanisms by a QM/MM method.

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.

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