Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid

Dandan Wang; Ce Hao; Se Wang; Hong Dong; Jieshan Qiu

doi:10.1007/s00894-011-1131-3

Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid

Journal of Molecular Modeling ◽

10.1007/s00894-011-1131-3 ◽

2011 ◽

Vol 18 (3) ◽

pp. 937-945 ◽

Cited By ~ 8

Author(s):

Dandan Wang ◽

Ce Hao ◽

Se Wang ◽

Hong Dong ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Ionic Liquid ◽

Hydrogen Bonding ◽

Density Functional ◽

Room Temperature ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Coumarin 153 ◽

Dependent Density

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Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex

Journal of Computational Chemistry ◽

10.1002/jcc.21297 ◽

2009 ◽

Vol 30 (16) ◽

pp. 2723-2727 ◽

Cited By ~ 56

Author(s):

Yufang Liu ◽

Junxia Ding ◽

Ruiqiong Liu ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Infrared Spectra ◽

Geometric Structure ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-aminophthalimide (4AP) in aqueous solution: 4AP and 4AP-(H2O)1,2 clusters

Journal of Computational Chemistry ◽

10.1002/jcc.21504 ◽

2010 ◽

Vol 31 (11) ◽

pp. 2157-2163 ◽

Cited By ~ 30

Author(s):

Rui Wang ◽

Ce Hao ◽

Peng Li ◽

Ning-Ning Wei ◽

Jingwen Chen ◽

...

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: Time-dependent density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.033 ◽

2013 ◽

Vol 115 ◽

pp. 39-44 ◽

Cited By ~ 5

Author(s):

Shuo Chai ◽

Jie Yu ◽

Yong-Chang Han ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Multiple Hydrogen Bonding ◽

Dependent Density

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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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Hydrogen-bonding dynamics of photoexcited coumarin 138 and 339 in protic methanol solution: Time-dependent density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.03.005 ◽

2015 ◽

Vol 1061 ◽

pp. 6-11 ◽

Cited By ~ 3

Author(s):

Shuo Chai ◽

Jing Wang ◽

Shao-Ying Zhu ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Solution Time ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates

Journal of Cluster Science ◽

10.1007/s10876-011-0421-3 ◽

2011 ◽

Vol 23 (1) ◽

pp. 155-164 ◽

Cited By ~ 4

Author(s):

Mingxian Ma ◽

Dapeng Yang

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Acetic Acid ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Time-dependent density functional theory study on the hydrogen bonding in electronic excited states of 6-amino-3-((thiophen-2-yl) methylene)-phthalide in methanol solution

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.06.013 ◽

2011 ◽

Vol 972 (1-3) ◽

pp. 57-62 ◽

Cited By ~ 3

Author(s):

Hong Dong ◽

Ce Hao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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Excited-State Hydrogen Bonding Dynamics of Hydrogen-Bonded Clusters Formed by of Coumarin Derivatives in Aqueous Solution: A Time-Dependent Density Functional Theory Study

Journal of Cluster Science ◽

10.1007/s10876-012-0466-y ◽

2012 ◽

Vol 23 (2) ◽

pp. 535-544 ◽

Cited By ~ 2

Author(s):

Mingzhen Zhang ◽

Changxin Zhao ◽

Yi Wang

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Time Dependent ◽

Coumarin Derivatives ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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A time-dependent density functional theory study on the effect of electronic excited-state hydrogen bonding on luminescent MOFs

Dalton Transactions ◽

10.1039/c2dt32575f ◽

2013 ◽

Vol 42 (10) ◽

pp. 3464-3470 ◽

Cited By ~ 21

Author(s):

Min Ji ◽

Ce Hao ◽

Dandan Wang ◽

Hongjiang Li ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Electronic Excited-State Hydrogen Bonding of Benzonitrile in Methanol Solution

Journal of Cluster Science ◽

10.1007/s10876-014-0686-4 ◽

2014 ◽

Vol 25 (4) ◽

pp. 1019-1028 ◽

Cited By ~ 1

Author(s):

Dapeng Yang ◽

Ruiquan Qi

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density

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