典型文献
Regulation of Excited-State Intramolecular Proton Transfer Process and Photophysical Properties for Benzoxazole Isothiocyanate Fluorescent Dyes by Changing Atomic Electronegativity
文献摘要：
Excited-state intramolecular proton transfer(ESIPT)is favored by researchers be-cause of its unique optical properties.However,there are relatively few system-atic studies on the effects of changing the electronegativ-ity of atoms on the ESIPT process and photophysical properties.Therefore,we selected a series of benzoxazole isothiocyanate fluorescent dyes(2-HOB,2-HSB,and 2-HSeB)by theo-retical methods,and systematically studied the ESIPT process and photophysical properties by changing the electronegativity of chalcogen atoms.The calculated bond angle,bond length,energy gap,and infrared spectrum analysis show that the order of the strength of intramolecular hydrogen bonding of the three molecules is 2-HOB＜2-HSB＜2-HSeB.Corre-spondingly,the magnitude of the energy barrier of the potential energy curve is 2-HOB＞2-HSB＞2-HSeB.In addition,the calculated electronic spectrum shows that as the atomic electronegativity decreases,the emission spectrum has a redshift.Therefore,this work will offer certain theoretical guidance for the synthesis and application of new dyes based on ESIPT properties.
文献关键词：
中图分类号：
作者姓名：
Hongling Zhang;Qingtong Liu;Yiying Wang;Zhe Tang;Panwang Zhou
作者机构：
Institute of Molecular Sciences and Engineering,Institute of Frontier and Interdisciplinary Science,Shandong University,Qingdao 266237,China;State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian 116023,China
文献出处：
引用格式：
[1]Hongling Zhang;Qingtong Liu;Yiying Wang;Zhe Tang;Panwang Zhou-.Regulation of Excited-State Intramolecular Proton Transfer Process and Photophysical Properties for Benzoxazole Isothiocyanate Fluorescent Dyes by Changing Atomic Electronegativity)[J].化学物理学报（英文版）,2022(02):331-337
A类：
Benzoxazole,Isothiocyanate,Electronegativity,electronegativ,benzoxazole,HSeB,spondingly
B类：
Regulation,Excited,State,Intramolecular,Proton,Transfer,Process,Photophysical,Properties,Fluorescent,Dyes,by,Changing,Atomic,state,intramolecular,proton,transfer,ESIPT,favored,researchers,cause,its,unique,optical,properties,However,there,relatively,few,studies,effects,changing,atoms,process,photophysical,Therefore,selected,series,isothiocyanate,fluorescent,dyes,HOB,HSB,methods,systematically,studied,electronegativity,chalcogen,calculated,angle,length,energy,gap,infrared,spectrum,analysis,that,order,strength,hydrogen,bonding,three,molecules,Corre,magnitude,barrier,potential,curve,addition,electronic,shows,atomic,decreases,emission,has,redshift,this,work,will,offer,certain,theoretical,guidance,synthesis,application,new
AB值：
0.52451
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