典型文献
Proton-induced Conversion from Non-Aufbau to Aufbau Electronic Structure of an Organic Radical with Turn-on Fluorescence
文献摘要：
W e report a donor-acceptor(D-A)type non-luminescent neutral radical,tris-2,4,6-trichlorophenylmethyl-N,N-dimethyl-9H-carbazol-3-amine(TTM-Cz-DMA).The results of cyclic voltammetry and quantum chemistry calculation confirm TTM-Cz-DMA has the non-Aufbau electronic structure,which means the singly occupied molecular orbital(SOMO)lies below the highest doubly occupied molecular orbital(HOMO).The non-Aufbau electronic structure changes to the Aufbau electronic structure after protonation and exhibits proton-responsive turn-on fluorescence,which is totally reversible by deprotonation.The dihedral angle between donor and acceptor moieties of TTM-Cz-DMA in excited state reduces from 88° to 62° after protonation,causing the turn-on fluorescence.Our results offer a viewing angle to understand the luminescence of radicals and provide a possible application of proton detection.
文献关键词：
中图分类号：
作者姓名：
CHEN Zhangwu;LI Feng
作者机构：
State Key Laboratory of Supramolecular Structure and Materials,College of Chemistry,Jilin University,Changchun 130012,P.R.China
文献出处：
引用格式：
[1]CHEN Zhangwu;LI Feng-.Proton-induced Conversion from Non-Aufbau to Aufbau Electronic Structure of an Organic Radical with Turn-on Fluorescence)[J].高等学校化学研究（英文版）,2022(03):798-802
A类：
Aufbau,trichlorophenylmethyl,carbazol,SOMO
B类：
Proton,induced,Conversion,from,Non,Electronic,Structure,Organic,Radical,Turn,Fluorescence,report,donor,acceptor,type,luminescent,neutral,tris,dimethyl,9H,amine,TTM,Cz,DMA,results,cyclic,voltammetry,quantum,chemistry,calculation,confirm,has,electronic,structure,which,means,singly,occupied,molecular,orbital,lies,below,highest,doubly,HOMO,changes,after,exhibits,responsive,turn,fluorescence,totally,reversible,by,deprotonation,dihedral,angle,between,moieties,excited,state,reduces,causing,Our,offer,viewing,understand,luminescence,radicals,provide,possible,application,detection
AB值：
0.567513
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