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Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
Authors:  Xu, Lei;  Zhang, Qiaoli;  Zhang, Tianjie;  Yang, Dapeng
Favorite  |  View/Download:7/0  |  Submit date:2019/12/02
Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity  
A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
Authors:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing;  Tian, Jing;  Fei, Xu;  Li, Yao;  Liu, Jianyong
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Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
Authors:  Chen, Yunpeng;  Yang, Yunfan;  Zhao, Yu;  Liu, Shixing;  Li, Yongqing
Favorite  |  View/Download:13/0  |  Submit date:2019/12/02
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Jia, Min;  Song, Xiaoyan;  Yang, Xiaohui;  Yang, Dapeng
Favorite  |  View/Download:6/0  |  Submit date:2019/12/02
charge distribution  ESIPT  intramolecular hydrogen bond  potential energy curve  
New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 213, 页码: 309-317
Authors:  Liu, Runze;  Ma, Yinhua;  Liu, Jianyong;  Yang, Yanqiang;  Chu, Tianshu
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Fluorescence emission  Fluorescence quenching  Dynamical sensing mechanism  pi-pi stacking interaction  Hydrogen-bonding interaction  Photo-induced electron transfer  
TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
Authors:  Liu, Dong;  Wang, Jie-Ping;  Li, Guang-Yue;  Zhou, Can-Hua
Favorite  |  View/Download:10/0  |  Submit date:2019/06/20
Sensor  Fluorescence  Excited state  TICT  ESPT  
The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8
Authors:  Jia, Min;  Yang, Guang;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20
charge redistribution  intramolecular hydrogen bond  potential energy curves  
Self-Adaptable Quinone-Quinol Exchange Mechanism of Photosystem II 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 46, 页码: 10478-10489
Authors:  Yao, Mingdong;  Liu, Ying;  Fei, Liping;  Zhou, Ye;  Wang, Fangjun;  Chen, Jun
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A Heterogeneous Metal-Free Catalyst for Hydrogenation: Lewis Acid-Base Pairs Integrated into a Carbon Lattice 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 42, 页码: 13800-13804
Authors:  Ding, Yuxiao;  Huang, Xing;  Yi, Xianfeng;  Qiao, Yunxiang;  Sun, Xiaoyan;  Zheng, Anmin;  Su, Dang Sheng
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
heterogeneous catalysis  hydrogenation  Lewis pairs  metal-free catalysis  nanocarbons  
On the solvation of hydronium by carbon dioxide: Structural and infrared spectroscopic study of (H3O+)(CO2)(n) 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 1-7
Authors:  Yang, Jianpeng;  Kong, Xiangtao;  Jiang, Ling
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Hydronium  Carbon Dioxide  Solvation  Infrared Photodissociation Spectroscopy  Quantum Chemical Calculation