Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4′-N,N-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations

Kayo Suda; Asri Sarinastiti;  Arifin; Yoshifumi Kimura; Daisuke Yokogawa

doi:10.1021/acs.jpcb.9b07549

Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4′-N,N-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b07549 ◽

2019 ◽

Vol 123 (46) ◽

pp. 9872-9881 ◽

Cited By ~ 4

Author(s):

Kayo Suda ◽

Asri Sarinastiti ◽

Arifin ◽

Yoshifumi Kimura ◽

Daisuke Yokogawa

Keyword(s):

Excited State ◽

Proton Transfer ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Structural Changes ◽

Intramolecular Proton Transfer

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Excited state intramolecular proton transfer of 2-hydroxy-1-naphthaldehyde semicarbazone: A combined fluorometric and quantum chemical study

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2011.06.001 ◽

2011 ◽

Vol 222 (1) ◽

pp. 220-227 ◽

Cited By ~ 13

Author(s):

Debosreeta Bose ◽

Barnali Jana ◽

Sayanti Datta ◽

Nitin Chattopadhyay

Keyword(s):

Excited State ◽

Proton Transfer ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Intramolecular Proton Transfer

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Excited state intramolecular proton transfer (ESIPT) in 2-(2′-hydroxyphenyl)benzoxazole and its naphthalene-fused analogs: A TD-DFT quantum chemical study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.08.068 ◽

2014 ◽

Vol 118 ◽

pp. 228-238 ◽

Cited By ~ 38

Author(s):

Hossein Roohi ◽

Fahimeh Hejazi ◽

Nafiseh Mohtamedifar ◽

Mahjobeh Jahantab

Keyword(s):

Excited State ◽

Proton Transfer ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Intramolecular Proton Transfer ◽

Td Dft

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Excited-State Triple-Proton Transfer in 7-Azaindole(H2O)2and Reaction Path Studied by Electronic Spectroscopy in the Gas Phase and Quantum Chemical Calculations†

The Journal of Physical Chemistry A ◽

10.1021/jp102733c ◽

2010 ◽

Vol 114 (42) ◽

pp. 11161-11166 ◽

Cited By ~ 50

Author(s):

Kenji Sakota ◽

Christophe Jouvet ◽

Claude Dedonder ◽

Masaaki Fujii ◽

Hiroshi Sekiya

Keyword(s):

Excited State ◽

Proton Transfer ◽

Gas Phase ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Reaction Path ◽

Electronic Spectroscopy

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Excited state intramolecular proton transfer (ESIPT) of 6-amino-2-(2′-hydroxyphenyl)benzoxazole in dichloromethane and methanol: A TD-DFT quantum chemical study

Journal of Luminescence ◽

10.1016/j.jlumin.2015.11.026 ◽

2016 ◽

Vol 172 ◽

pp. 29-33 ◽

Cited By ~ 56

Author(s):

Chaozheng Li ◽

Chi Ma ◽

Donglin Li ◽

Yufang Liu

Keyword(s):

Excited State ◽

Proton Transfer ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Intramolecular Proton Transfer ◽

Td Dft

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Quantum chemical exploration of the intramolecular hydrogen bond interaction in 2-thiazol-2-yl-phenol and 2-benzothiazol-2-yl-phenol in the context of excited-state intramolecular proton transfer: A focus on the covalency in hydrogen bond

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.03.124 ◽

2014 ◽

Vol 131 ◽

pp. 72-81 ◽

Cited By ~ 14

Author(s):

Bijan Kumar Paul ◽

Aniruddha Ganguly ◽

Nikhil Guchhait

Keyword(s):

Hydrogen Bond ◽

Excited State ◽

Proton Transfer ◽

Intramolecular Hydrogen Bond ◽

Quantum Chemical ◽

Intramolecular Proton Transfer ◽

Hydrogen Bond Interaction ◽

Bond Interaction ◽

Intramolecular Hydrogen

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Excited state intramolecular proton transfer in 3-hydroxy-2-naphthaldehyde: A combined study by absorption and emission spectroscopy and quantum chemical calculation

Chemical Physics ◽

10.1016/j.chemphys.2006.01.036 ◽

2006 ◽

Vol 324 (2-3) ◽

pp. 742-752 ◽

Cited By ~ 29

Author(s):

Subrata Mahanta ◽

Rupashree Balia Singh ◽

Samiran Kar ◽

Nikhil Guchhait

Keyword(s):

Excited State ◽

Proton Transfer ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Emission Spectroscopy ◽

Intramolecular Proton Transfer ◽

Chemical Calculation ◽

Absorption And Emission ◽

Absorption And Emission Spectroscopy

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Teasing apart excited-state intramolecular proton transfer (ESIPT) fluorescence: An evaluation of solvent, substituent, and aromaticity effects

10.31274/etd-20200902-82 ◽

2020 ◽

Author(s):

Bryan Lampkin

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer

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The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.04.053 ◽

2019 ◽

Vol 219 ◽

pp. 164-172 ◽

Cited By ~ 14

Author(s):

Songsong Liu ◽

Yu Zhao ◽

Changzhe Zhang ◽

Lili Lin ◽

Yongqing Li ◽

...

Keyword(s):

Excited State ◽

Hydrogen Bonds ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

The Novel ◽

Intermolecular Hydrogen Bonds

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An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone

The Journal of Chemical Physics ◽

10.1063/5.0046844 ◽

2021 ◽

Vol 154 (18) ◽

pp. 184107

Author(s):

Michele Nottoli ◽

Mattia Bondanza ◽

Filippo Lipparini ◽

Benedetta Mennucci

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Enhanced Sampling

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Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19980130)19:2<129::aid-jcc5>3.0.co;2-w ◽

1998 ◽

Vol 19 (2) ◽

pp. 129-138 ◽

Cited By ~ 11

Author(s):

Martin ?uma ◽

Clifton Thompson ◽

Steve Scheiner

Keyword(s):

Excited State ◽

Proton Transfer ◽

Intramolecular Proton Transfer ◽

Atomic Substitution

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