Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol

Guang-Jiu Zhao; Ke-Li Han

doi:10.1002/jcc.20957

Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol

Journal of Computational Chemistry ◽

10.1002/jcc.20957 ◽

2008 ◽

Vol 29 (12) ◽

pp. 2010-2017 ◽

Cited By ~ 247

Author(s):

Guang-Jiu Zhao ◽

Ke-Li Han

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density ◽

Hydrogen Bonded

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Hydrogen-bonded Intramolecular Charge Transfer Excited State of Dimethylaminobenzophenone using Time Dependent Density Functional Theory

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/25/06/654-658 ◽

2012 ◽

Vol 25 (6) ◽

pp. 654-658

Author(s):

Yu-ling Chu ◽

Zhong Yang ◽

Zhe-feng Pan ◽

Jing Liu ◽

Yue-yi Han ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density ◽

Hydrogen Bonded

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Twisted intramolecular charge transfer: A time-dependent density functional theory study on the sensing mechanism of a Schiff base sensor for fluoride

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136894 ◽

2020 ◽

Vol 738 ◽

pp. 136894 ◽

Cited By ~ 2

Author(s):

Dong Liu ◽

Lei Shi ◽

Shu-Huan Gao ◽

Yu-Heng Wu ◽

Guang-Yue Li ◽

...

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Twisted Intramolecular Charge Transfer ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on the Electronic Excited State of Hydrogen-Bonded Clusters Formed by 2-Hydroxybenzonitrile (o-Cyanophenol) and Carbon Monoxide

Journal of Cluster Science ◽

10.1007/s10876-011-0406-2 ◽

2011 ◽

Vol 22 (3) ◽

pp. 501-511 ◽

Cited By ~ 10

Author(s):

Jiazuo Zhang ◽

Guangyan Zhao ◽

Ruizhou Li ◽

Dongyu Hou

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density ◽

Hydrogen Bonded

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Time-dependent density functional theory study on the hydrogen bonding-induced twisted intramolecular charge-transfer excited states of 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine

Journal of Computational Chemistry ◽

10.1002/jcc.21492 ◽

2010 ◽

pp. NA-NA ◽

Cited By ~ 1

Author(s):

Shu-Hui Yin ◽

Yufang Liu ◽

Wei Zhang ◽

Ming-Xing Guo ◽

Peng Song

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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A Time-dependent Density Functional Theory Study of a Fluorescent Probe to Detect Hydroxyl Radicals: Inhibiting the Twisted Intramolecular Charge-transfer Process

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2021.119928 ◽

2021 ◽

pp. 119928

Author(s):

Gong Bo ◽

Li Bo-Yu ◽

Yin Shou-Liang ◽

Li Yue-Hua ◽

Li Guang-Yue

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Hydroxyl Radicals ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Charge Transfer Process ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional theory study on intramolecular charge transfer and solvent effect of dimethylaminobenzophenone

The Journal of Chemical Physics ◽

10.1063/1.1850097 ◽

2005 ◽

Vol 122 (8) ◽

pp. 084314 ◽

Cited By ~ 28

Author(s):

Xiao-Hui Duan ◽

Xiang-Yuan Li ◽

Rong-Xing He ◽

Xue-Mei Cheng

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Solvent Effect ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Cited By ~ 25

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Hydrogen and Dihydrogen Bonding in Electronically Excited State of 2-Pyridone–Borane–Trimethylamine Cluster

Journal of Cluster Science ◽

10.1007/s10876-013-0572-5 ◽

2013 ◽

Vol 24 (2) ◽

pp. 459-470 ◽

Cited By ~ 3

Author(s):

Ningning Wei ◽

Adel Hamza ◽

Ce Hao ◽

Zhilong Xiu ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronically Excited State ◽

Dihydrogen Bonding ◽

Electronically Excited ◽

Dependent Density

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Charge-Transfer ππ* Excited State in the 7-Azaindole Dimer. A Hybrid Configuration Interactions Singles/Time-Dependent Density Functional Theory Description

The Journal of Physical Chemistry A ◽

10.1021/jp055581z ◽

2006 ◽

Vol 110 (3) ◽

pp. 1145-1151 ◽

Cited By ~ 24

Author(s):

Ricard Gelabert ◽

Miquel Moreno ◽

José M. Lluch

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Hybrid Configuration ◽

Dependent Density

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Tuning of the excited state properties of phenylenevinylene oligomers: A time-dependent density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.1568079 ◽

2003 ◽

Vol 118 (20) ◽

pp. 9441-9446 ◽

Cited By ~ 17

Author(s):

F. C. Grozema ◽

R. Telesca ◽

J. G. Snijders ◽

L. D. A. Siebbeles

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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