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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
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
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
作者:
Yang, Dapeng
;
Zhao, Zhongjian
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
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  |  
浏览/下载:182/0
  |  
提交时间: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
作者:
Zhang, Tianjie
;
Zhang, Qiaoli
;
Lu, Xuemei
;
Jia, Min
;
Song, Xiaoyan
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  |  
浏览/下载:67/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
intramolecular hydrogen bond
potential energy curves
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
作者:
Li, Guang-Yue
;
Liu, Dong
;
Wang, Jie-Ping
;
Zhou, Can-Hua
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  |  
浏览/下载:60/0
  |  
提交时间:2019/06/20
Sensor
Fluorescence
Excited state
TICT
ESPT
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
作者:
Liu, Dong
;
Wang, Jie-Ping
;
Li, Guang-Yue
;
Zhou, Can-Hua
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  |  
浏览/下载:112/0
  |  
提交时间:2019/05/08
Sensor
Fluorescence
Excited state
Tict
Espt
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
作者:
Song, Xiaoyan
;
Zhang, Tianjie
;
Zhang, Qiaoli
;
Yang, Dapeng
;
Yang, Guang
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  |  
浏览/下载:51/0
  |  
提交时间:2019/06/20
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
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
作者:
Yang, Dapeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2019/05/08
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
作者:
Song, Xiaoyan
;
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Yang, Dapeng
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2019/06/20
charge density difference
charge redistribution
ESIPT
intramolecular hydrogen bond
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double?
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2019/06/20
double
ESIPT mechanism
intramolecular hydrogen bond
single
TDDFT
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