Excited-State Proton Transfer through Water Bridges and Structure of Hydrogen-Bonded Complexes in 1H-Pyrrolo[3,2-h]quinoline:  Adiabatic Time-Dependent Density Functional Theory Study

The dynamic overall perspective of an excited-state proton transfer (ESPT) process for 2,8-diphenyl-3,7-dihydroxy-4H,6H-pyrano[3,2-g]-chromene-4,6-dione (D3HF) is investigated based on a time-dependent density functional theory (TDDFT) method.

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Time-dependent density functional theory study on the excited-state intramolecular proton transfer in salicylaldehyde

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.03.078 ◽

2014 ◽

Vol 129 ◽

pp. 280-284 ◽

Cited By ~ 32

Author(s):

Hang Yin ◽

Ying Shi ◽

Ye Wang

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Intersystem Crossing Pathway in Quinoline–Pyrazole Isomerism: A Time-Dependent Density Functional Theory Study on Excited-State Intramolecular Proton Transfer

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b03557 ◽

2015 ◽

Vol 119 (24) ◽

pp. 6269-6274 ◽

Cited By ~ 70

Author(s):

Yu-Hui Liu ◽

Sheng-Cheng Lan ◽

Chaoyuan Zhu ◽

Sheng-Hsien Lin

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Intersystem Crossing ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.02.019 ◽

2014 ◽

Vol 1034 ◽

pp. 80-84 ◽

Cited By ~ 14

Author(s):

Shuo Chai ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Substituent Effect ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Excited-state intramolecular proton transfer mechanism for 2-(quinolin-2-yl)-3-hydroxychromone: A detailed time-dependent density functional theory study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.03.094 ◽

2018 ◽

Vol 260 ◽

pp. 447-457 ◽

Cited By ~ 4

Author(s):

Yingying Yang ◽

Zhe Tang ◽

Panwang Zhou ◽

Yutai Qi ◽

Yi Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Transfer Mechanism ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study

Organic Chemistry Frontiers ◽

10.1039/c9qo00295b ◽

2019 ◽

Vol 6 (11) ◽

pp. 1807-1815 ◽

Cited By ~ 5

Author(s):

Changming Li ◽

Wei Guo ◽

Panwang Zhou ◽

Zhe Tang

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

The effects of the heteroatom and position on excited-state intramolecular proton transfer (ESIPT) of 2-[4′-(N-4,6-dichloro-1,3,5-triazi-n-2-yl)2′hydroxyphenyl]benzoxazole (4THBO) have been investigated via time-dependent density functional theory studies.

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