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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
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Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity  
A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
Authors:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng
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charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
Authors:  Yang, Dapeng;  Zhang, Qiaoli;  Song, Xiaoyan;  Zhang, Tianjie
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Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli
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charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves  
The investigation of proton transfer and fluorescence-sensing mechanisms of [2-(2-hydroxy-phenyl)-1H-benzoimidazol-5-yl]-phenyl-methanone 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 6, 页码: 583-588
Authors:  Yang, Dapeng;  Zhao, Zhongjian;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Zhang, Tianjie
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deprotonation  fluoride-triggered fluorescence response  intra and interhydrogen bonds  potential energy curves  
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
Authors:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
Authors:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Zhang, Tianjie
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Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface  
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond  
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:1/0  |  Submit date:2019/06/20
charge redistribution  intramolecular hydrogen bond  potential energy curves  
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61
Authors:  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer