scholarly journals Aggregation-induced emission spectra of triphenylamine salicylaldehyde derivatives via excited-state intramolecular proton transfer revealed by molecular spectral and dynamics simulations

RSC Advances ◽  
2021 ◽  
Vol 11 (59) ◽  
pp. 37171-37180
Author(s):  
Qing Zhang ◽  
Yuanyuan Li ◽  
Zexing Cao ◽  
Chaoyuan Zhu
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Emission Spectra ◽  
Intramolecular Proton Transfer ◽  
Aggregation Induced Emission ◽  
Salicylaldehyde Derivatives ◽  
Dynamics Simulations

The emission spectra of triphenylamine salicylaldehyde derivatives are weak in solution and strong in the crystal, as interpreted by molecular spectral and dynamics simulations.

Fluorescence turn-on detection of cysteine over homocysteine and glutathione based on “ESIPT” and “AIE”

2015 ◽  
Vol 7 (12) ◽  
pp. 5028-5033 ◽  
Author(s):  
Hualong Liu ◽  
Xiaoyan Wang ◽  
Yu Xiang ◽  
Aijun Tong
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Aggregation Induced Emission ◽  
Emission Properties ◽  
Turn On ◽  
Fluorescence Turn On

A turn-on detection of cysteine (Cys) based on excited-state intramolecular proton transfer and aggregation-induced emission properties of a salicylaldehyde azine derivative has been established.

scholarly journals Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations

2015 ◽  
Vol 17 (15) ◽  
pp. 9687-9697 ◽  
Author(s):  
Shu-Hua Xia ◽  
Bin-Bin Xie ◽  
Qiu Fang ◽  
Ganglong Cui ◽  
Walter Thiel
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Nonadiabatic Dynamics ◽  
Surface Hopping ◽  
Dynamics Simulations

The combined electronic structure computations and nonadiabatic dynamics simulations show that excited-state intramolecular proton transfer to carbon atoms can be ultrafast.

scholarly journals Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

2019 ◽  
Author(s):  
Michael Dommett ◽  
Miguel Rivera ◽  
Matthew T. H. Smith ◽  
Rachel Crespo Otero
Keyword(s):  
Excited State ◽  
Solid State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Extensive Study ◽  
Structure Property ◽  
Aggregation Induced Emission ◽  
Organic Systems ◽  
Structure Property Relationships ◽  
Formidable Challenge

Aggregation induced emission offers a route to the development of emissive technologies based on solely organic systems. However, maximising fluorescence quantum efficiencies (QE) is a formidable challenge in attaining first-principles materials design, due to the interplay between the electronic structure of the chromophore and the molecular crystal. The identification of radiative and nonradiative channels, and how these are affected by aggregation, can rationalise the emissive properties of materials and aid in the design of yet more efficient fluorophores. In the current work, we examine the mechanism behind aggregation induced emission in two related families of compounds with lasing properties, which undergo excited state intramolecular proton transfer (ESIPT). We systematically investigate competing excited state decay channels in a total of eleven crystals to evaluate the factors needed for efficient ESIPT fluorophores, aided by a full evaluation of the crystal structures, exciton coupling, and exciton hopping rates. We show that in addition to the restriction of nonradiative pathways, an efficient ESIPT is essential to maximise the QE in the solid state. This extensive study of structure-property relationships for fluorophores based on the ESIPT mechanism bridges the understanding of molecular photophysics with crystal structure, accelerating the development of highly efficient solid state emitters.

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