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

Chi Ma; Yonggang Yang; Chaozheng Li; Yufang Liu

doi:10.1021/acs.jpca.5b09430

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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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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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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Unravelling the solvent polarity effect on the excited state intramolecular proton transfer mechanism of the 1- and 2-salicylideneanthrylamine. A TD-DFT case study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp06298f ◽

2019 ◽

Vol 21 (2) ◽

pp. 915-928 ◽

Cited By ~ 13

Author(s):

Wilver A. Muriel ◽

Rodrigo Morales-Cueto ◽

William Rodríguez-Córdoba

Keyword(s):

Excited State ◽

Proton Transfer ◽

Solvent Polarity ◽

Intramolecular Proton Transfer ◽

Transfer Mechanism ◽

Polarity Effect ◽

Td Dft

TD-DFT has been used to investigate the relaxation pathways of 1- and 2-salicylideneanthrylamine in different solvent environments.

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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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TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes

The Journal of Physical Chemistry B ◽

10.1021/jp505036d ◽

2014 ◽

Vol 119 (6) ◽

pp. 2180-2192 ◽

Cited By ~ 42

Author(s):

Ymène Houari ◽

Siwar Chibani ◽

Denis Jacquemin ◽

Adèle D. Laurent

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Td Dft

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Tuning of energetics and reaction mechanism of water-assisted intramolecular proton transfer of 7-azaindole by external electric field applied in various directions: a TD-DFT study

Theoretical Chemistry Accounts ◽

10.1007/s00214-017-2052-8 ◽

2017 ◽

Vol 136 (2) ◽

Cited By ~ 3

Author(s):

Yazhen Li ◽

Yuanying Li ◽

Qingqing Su ◽

Bin Wang ◽

Ni Guo ◽

...

Keyword(s):

Reaction Mechanism ◽

Electric Field ◽

Proton Transfer ◽

External Electric Field ◽

Intramolecular Proton Transfer ◽

Dft Study ◽

Td Dft

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A theoretical study on the excited-state intramolecular proton transfer mechanism of 4′-dimethylaminoflavonol chemosensor

Journal of the Chinese Chemical Society ◽

10.1002/jccs.201800208 ◽

2018 ◽

Vol 66 (1) ◽

pp. 49-55 ◽

Cited By ~ 2

Author(s):

Jian Lv ◽

Guang Yang ◽

Min Jia ◽

Jinfeng Zhao ◽

Xiaoyan Song ◽

...

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Study ◽

Intramolecular Proton Transfer ◽

Transfer Mechanism

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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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A ratiometric fluorescent probe for hydrogen sulfide based on an excited-state intramolecular proton transfer mechanism

Dyes and Pigments ◽

10.1016/j.dyepig.2013.07.033 ◽

2013 ◽

Vol 99 (3) ◽

pp. 871-877 ◽

Cited By ~ 45

Author(s):

Qian Huang ◽

Xiao-Feng Yang ◽

Hua Li

Keyword(s):

Hydrogen Sulfide ◽

Excited State ◽

Proton Transfer ◽

Fluorescent Probe ◽

Intramolecular Proton Transfer ◽

Transfer Mechanism ◽

Ratiometric Fluorescent Probe

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