Reported herein is the first time mechanochromicmaterials based on sole enol-form emission of 2-(2’-hydroxyphenyl)azoles containing one triphenylamine (TPA).Three different single crystals were obtained and represent...Reported herein is the first time mechanochromicmaterials based on sole enol-form emission of 2-(2’-hydroxyphenyl)azoles containing one triphenylamine (TPA).Three different single crystals were obtained and representpristine, intermediate, and ground states, respectively. The 2-(2’-hydroxyphenyl)azoles containing two TPA exhibit balanced dual-emission and could be used in multi-channelimaging, and selectivity accumulated in mitochondria of livingcells. In addition, we developed the first example of excitedstate intramolecular proton transfer (ESIPT) materials withsole enol-form emission and balanced dual-emission to detectchemical warfare agents (CWAs) mimic diethyl chlorophosphate (DCP) with good selectivity, highly sensitive, and fastresponsive.展开更多
In the present study,the density functional theory(DFT)and Gibbs free energy calculations were performed to investigate the stability and tautomerism of C4-substituted-3,4-dihydropyrimidin-2(1H)-ones.Three different f...In the present study,the density functional theory(DFT)and Gibbs free energy calculations were performed to investigate the stability and tautomerism of C4-substituted-3,4-dihydropyrimidin-2(1H)-ones.Three different forms are possible for the ethyl 3,4-dihydropyrimidinones(ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates,ethyl 4-aryl-2-hydroxy-6-methyl-1,4-dihydropyrimidine-5-carboxylates and ethyl 4-aryl-2-hydroxy-6-methyl-3,4-dihydropyrimidine-5-carboxylates)forms that the most stable form is ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates(keto-form).The obtained data showed that the substitution on the C4-substitut position can be effective on the equilibrium constant(K_(eq)).展开更多
基金supported by the Fundamental Research Funds for the Central Universities (2023CDJYGRH-YB17, 2024CDJXY002, 2024CDJQYJCYJ-001)the Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology (BM2012110)+5 种基金the Scientific and Technological Project of Jiangsu Province (BZ2023055, BE2023693)the Venture & Innovation Support Program for Chongqing Overseas Returnees (cx2022061)the Natural Science Foundation of Chongqing (CSTB2022NSCQ-MSX1123)the Chongqing Talents: Exceptional Young Talents Project (cstc2021ycjhbgzxm0067)Changzhou University, Advanced Catalysis and Green Manufacturing Collaborative Innovation Center (ACGM2022–10–10)the National Natural Science Foundation of China (21702019)。
文摘Reported herein is the first time mechanochromicmaterials based on sole enol-form emission of 2-(2’-hydroxyphenyl)azoles containing one triphenylamine (TPA).Three different single crystals were obtained and representpristine, intermediate, and ground states, respectively. The 2-(2’-hydroxyphenyl)azoles containing two TPA exhibit balanced dual-emission and could be used in multi-channelimaging, and selectivity accumulated in mitochondria of livingcells. In addition, we developed the first example of excitedstate intramolecular proton transfer (ESIPT) materials withsole enol-form emission and balanced dual-emission to detectchemical warfare agents (CWAs) mimic diethyl chlorophosphate (DCP) with good selectivity, highly sensitive, and fastresponsive.
文摘In the present study,the density functional theory(DFT)and Gibbs free energy calculations were performed to investigate the stability and tautomerism of C4-substituted-3,4-dihydropyrimidin-2(1H)-ones.Three different forms are possible for the ethyl 3,4-dihydropyrimidinones(ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates,ethyl 4-aryl-2-hydroxy-6-methyl-1,4-dihydropyrimidine-5-carboxylates and ethyl 4-aryl-2-hydroxy-6-methyl-3,4-dihydropyrimidine-5-carboxylates)forms that the most stable form is ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates(keto-form).The obtained data showed that the substitution on the C4-substitut position can be effective on the equilibrium constant(K_(eq)).
