TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: Excited-state proton transfer

Journal of Computational Chemistry ◽

10.1002/jcc.21466 ◽

2010 ◽

pp. NA-NA ◽

Cited By ~ 19

Author(s):

Guang-Yue Li ◽

Guang-Jiu Zhao ◽

Yu-Hui Liu ◽

Ke-Li Han ◽

Guo-Zhong He

Keyword(s):

Excited State ◽

Proton Transfer ◽

Dft Study ◽

Fluorescent Chemosensor ◽

Sensing Mechanism ◽

Td Dft ◽

Excited State Proton Transfer

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TD-DFT study on the excited-state proton transfer in the fluoride sensing of a turn-off type fluorescent chemosensor based on anthracene derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.07.010 ◽

2012 ◽

Vol 97 ◽

pp. 746-752 ◽

Cited By ~ 46

Author(s):

Ping Song ◽

Jun-Xia Ding ◽

Tian-Shu Chu

Keyword(s):

Excited State ◽

Proton Transfer ◽

Dft Study ◽

Fluorescent Chemosensor ◽

Td Dft ◽

Excited State Proton Transfer ◽

Anthracene Derivatives ◽

Fluoride Sensing

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Time-dependent density functional theory (TD-DFT) study of the excited state proton transfer in hypoxanthine

International Journal of Quantum Chemistry ◽

10.1002/qua.20714 ◽

2005 ◽

Vol 105 (4) ◽

pp. 387-395 ◽

Cited By ~ 17

Author(s):

M. K. Shukla ◽

Jerzy Leszczynski

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Time Dependent ◽

Dft Study ◽

Functional Theory ◽

Td Dft ◽

Excited State Proton Transfer ◽

Dependent Density

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Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study

Chemical Physics Letters ◽

10.1016/j.cplett.2014.07.012 ◽

2014 ◽

Vol 610-611 ◽

pp. 179-185 ◽

Cited By ~ 5

Author(s):

Dandan Wang ◽

Rui Lü ◽

Minghu Yuan ◽

Junsheng Chen ◽

Liqiang Feng ◽

...

Keyword(s):

Hydrogen Bonding ◽

Excited State ◽

Charge Transfer ◽

Proton Transfer ◽

Intramolecular Charge Transfer ◽

Dft Study ◽

Intermolecular Hydrogen Bonding ◽

Twisted Intramolecular Charge Transfer ◽

Td Dft ◽

Excited State Proton Transfer

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Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect

Journal of Luminescence ◽

10.1016/j.jlumin.2015.06.001 ◽

2015 ◽

Vol 167 ◽

pp. 132-139 ◽

Cited By ~ 13

Author(s):

Rathawat Daengngern ◽

Nawee Kungwan

Keyword(s):

Excited State ◽

Proton Transfer ◽

Photophysical Properties ◽

Substitution Effect ◽

Intramolecular Proton Transfer ◽

Dft Study ◽

Transfer Processes ◽

Td Dft

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Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory

Physical Chemistry Chemical Physics ◽

10.1039/c4cp00068d ◽

2014 ◽

Vol 16 (18) ◽

pp. 8661-8666 ◽

Cited By ~ 30

Author(s):

Marika Savarese ◽

Paolo A. Netti ◽

Nadia Rega ◽

Carlo Adamo ◽

Ilaria Ciofini

Keyword(s):

Excited State ◽

Proton Transfer ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Transfer Reactions ◽

Td Dft ◽

Excited State Proton Transfer ◽

Proton Transfer Reactions ◽

Proton Shuttling

The mechanism of intermolecular proton shuttling involved in a prototypical excited state proton transfer reaction is disclosed using DFT and TD-DFT.

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Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.05.113 ◽

2019 ◽

Vol 1195 ◽

pp. 280-292 ◽

Cited By ~ 6

Author(s):

Chattarika Sukpattanacharoen ◽

Rusrina Salaeh ◽

Vinich Promarak ◽

Daniel Escudero ◽

Nawee Kungwan

Keyword(s):

Excited State ◽

Proton Transfer ◽

Electronic Structures ◽

Photophysical Properties ◽

Substitution Effect ◽

Intramolecular Proton Transfer ◽

Dft Study ◽

Transfer Processes ◽

Td Dft ◽

Heteroatom Substitution

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Modulating excited‐state intramolecular proton transfer of 2‐(5‐(4‐carboxyphenyl)‐2‐hydroxyphenyl)benzothiazole depending on substituents: A DFT/TD‐DFT study

Journal of Physical Organic Chemistry ◽

10.1002/poc.4109 ◽

2020 ◽

Vol 33 (12) ◽

Author(s):

Mei Ni ◽

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Dft Study ◽

Td Dft

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TD-DFT Study of Excited-State Intramolecular Proton Transfer (ESIPT) of 2-(1,3-benzothiazol-2-yl)-5-(N,N-diethylamino)Phenol with Benzoxazole and Benzimidazole Analogues

Procedia Computer Science ◽

10.1016/j.procs.2013.05.244 ◽

2013 ◽

Vol 18 ◽

pp. 797-805 ◽

Cited By ~ 4

Author(s):

Vikas Padalkar ◽

Ponnadurai Ramasami ◽

Nagaiyan Sekar

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Dft Study ◽

Td Dft

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Hydrogen bonding interactions induced excited state proton transfer and fluoride anion sensing mechanism for 2‐(3,5‐dichloro‐2,6‐dihydroxy‐phenyl)‐benzoxazole‐5‐carboxylicacid

Journal of Physical Organic Chemistry ◽

10.1002/poc.4054 ◽

2020 ◽

Vol 33 (6) ◽

Cited By ~ 3

Author(s):

Guang Yang ◽

Xiaofeng Jin ◽

Kaifeng Chen ◽

Dapeng Yang

Keyword(s):

Hydrogen Bonding ◽

Excited State ◽

Proton Transfer ◽

Fluoride Anion ◽

Anion Sensing ◽

Sensing Mechanism ◽

Hydrogen Bonding Interactions ◽

Excited State Proton Transfer

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TD-DFT Study of the Double Excited-State Intramolecular Proton Transfer Mechanism of 1,3-Bis(2-pyridylimino)-4,7-dihydroxyisoindole

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b09430 ◽

2015 ◽

Vol 119 (51) ◽

pp. 12686-12692 ◽

Cited By ~ 35

Author(s):

Chi Ma ◽

Yonggang Yang ◽

Chaozheng Li ◽

Yufang Liu

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Transfer Mechanism ◽

Dft Study ◽

Td Dft

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