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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
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Hydrogen bond  Charge density difference  ESIPT  Potential energy curves  
Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer 期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 204, 页码: 642-648
Authors:  Li, Yang;  Zhao, Jin-Feng;  Chu, Tian-Shu
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Fluorescent probe  Density functional theory  Excited state intramolecular proton transfer  Photoinduced electron transfer  Intramolecular charge transfer  
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
Authors:  Zhang, Qiaoli;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhao, Jinfeng
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Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state  
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
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ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
Identifying the Role of Intramolecular Charge Transfer and Excited-State Proton Transfer in Fluorescence Mechanism for an Azido-Based Chemosensor 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 46, 页码: 26576-26583
Authors:  Zhao, Ningjiu;  Li, Yang;  Jia, Yan;  Li, Peng
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Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7
Authors:  Wang, Yusheng;  Yang, Guang;  Yang, Dapeng
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electronic spectra  frontier molecular orbital  potential energy curves  TDDFT  
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
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charge redistribution  ESIPT  hydrogen bond  transition state  
A detailed DFT/TDDFT study on excited-state intramolecular hydrogen bonding dynamics and proton-transfer mechanism of 2-phenanthro[9,10-d]oxazol-2-yl-phenol 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 10, 页码: 8
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
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ESIPT  frontier molecular orbitals  infrared spectra  intramolecular hydrogen bond  
The effect of benzo-annelation on intermolecular hydrogen bond and proton transfer of 2-methyl-3-hydroxy-4(1H)-quinolone in methanol: A TD-DFT study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 5
Authors:  Zhao, Yanliang;  Wang, Meishan;  Zhou, Panwang;  Yang, Chuanlu;  Ma, Xiaoguang;  Tang, Zhe;  Bao, Dongshuai
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Electronic Spectra  Excited-state Proton Transfer  Hydrogen Bond  Transition State  
Excited-State Proton Transfer Mechanism of 2,6-Diazaindoles-(H2O)(n) (n=2-4) Clusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 14, 页码: 3988-3995
Authors:  Tang, Zhe;  Qi, Yutai;  Wang, Yi;  Zhou, Panwang;  Tian, Jing;  Fei, Xu
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20