Design Strategy of Infrared 4-Hydroxybenzylidene-imidazolinone-Type Chromophores based on Intramolecular Charge Transfer:a Theoretical Perspective

作     者：Jian Song WenLong Liang Shouning Yang Huayan Yang Jian Song;WenLong Liang;Shouning Yang;Huayan Yang

作者机构：School of PhysicsHenan Normal UniversityXinxiang 453007China NMPA Key Laboratory for Research and Evaluation of Innovative DrugHenan Key Laboratory of Organic Functional Molecule and Drug InnovationCollaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsSchool of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007China 

基　　金：supported by the National Natural Sci-ence Foundation of China(No.U1904196,No.82073699) the Natural Science Foundation of Henan(No.222300420055) 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)

年 卷 期：2023年第36卷第5期

页      码：582-592,I0002页

摘      要：Partial genetically encoded 4-hy-droxybenzylidene-imidazolinone(HBI)-type chromophores are new promising fluorescent probes,which are suitable for imaging and detection of living ***-ever,the lack of infrared chro-mophores hinders the develop-ment *** more than 30 HBI-type chromophores with reg-ular structure modifications were employed and typical spectral redshift change laws and mechanisms were investigated by quantum *** show that both one-photon spectrum(OPS,absorption/emission)and two-photon absorption(TPA)can achieve large redshift via either extending conjugated lengths of frag-3 or enlarging conjugated areas of frag-1 of HBI *** redshifts of all chromophores are highly related to intramolecular charge transfer(ICT),but neutral ones are closely related to the total ICT or electron-accept-ing-numbers of frag-3,and the high correlative factor of anions is the aromaticity of frag-2 *** frag-2 bridge with high aromaticity can open a reverse charge transfer channel in anion relative to neutral,obtaining significant *** on analysis,a new 6-hydroxyl-naphthalene-imidazolinone(HNI)series,which have larger conjugated area in frag-1,are *** OPS and TPA of anionic HNI ones acquire about 76−96 nm and 119−146 nm red-shift relative to traditional HBI series respectively as a *** longest emission of anionic HNI-4 realizes more 244 nm redshift relative to *** work clarifies worthy spectral reg-ularities and redshift mechanisms of HBI-type chromophores and provides valuable design strategy for infrared chromophores synthesis in experiment.

主 题 词：Intramolecular charge transfer Near-infrared fluorescent chromophore 4-Hy-droxybenzylidene-imidazolinone One-photon spectrum Two-photon absorption 

学科分类：081704[081704] 07[理学] 08[工学] 0817[工学-轻工类] 070302[070302] 0703[理学-化学类] 

核心收录：

D　O　I：10.1063/1674-0068/cjcp2210157

馆 藏 号：203124168...