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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
Favorite  |  View/Download:2/0  |  Submit date:2019/12/02
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
Favorite  |  View/Download:0/0  |  Submit date:2019/12/02
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:5/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves  
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:2/0  |  Submit date:2019/06/20
charge redistribution  intramolecular hydrogen bond  potential energy curves  
Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-Hydroxy-phenyl)-4(3H)-quinazolinone 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 207, 页码: 61-67
Authors:  Liu, Li-Yan;  Wu, Shuai-Shuai;  Yu, Jie;  Chai, Shuo;  Cong, Shu-Lin
Favorite  |  View/Download:8/0  |  Submit date:2019/06/20
Hydrogen bonds  ESIPT  Configuration twisting  Potential energy curves  Fluorescence  
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:5/0  |  Submit date:2019/06/20
frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer  
A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55
Authors:  Lv, Jian;  Yang, Guang;  Jia, Min;  Zhao, Jinfeng;  Song, Xiaoyan;  Zhang, Qiaoli
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge transfer  ESIPT  intramolecular hydrogen bond  potential energy curves  
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
Authors:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Hydrogen bond  Charge density difference  ESIPT  Potential energy curves  
Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
Authors:  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang;  Qi, Yutai;  Wang, Yi;  Zhang, Peng;  Zhou, Panwang
Favorite  |  View/Download:14/0  |  Submit date:2019/06/20
ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves