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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 6
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Research Articles

Computational prediction on photophysical properties of two excited state intramolecular proton transfer (ESIPT) fluorophores bearing the benzothiazole group

Keke WenDepartment of Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, People’s Republic of ChinaView further author information
,
Xugeng GuoDepartment of Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, People’s Republic of ChinaCorrespondence[email protected]
ORCID Iconhttp://orcid.org/0000-0003-2152-2548View further author information
ORCID Icon &
Jinglai ZhangDepartment of Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, People’s Republic of ChinaORCID Iconhttp://orcid.org/0000-0002-2728-0511View further author information
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Pages 804-812 | Received 18 Sep 2018, Accepted 22 Oct 2018, Published online: 01 Nov 2018

Citations (14)

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Meiyi Zhang, Mingzhe Li, Jiaoni Pan, Jinfeng Zhao, Wen Zeng & Wenyue Gu. (2024) Solvation effect on photophysical properties and ESIPT behaviours for 2-benzooxazol-2-yl-6-thiophen-2-yl-phenol fluorophore: a theoretical study. Molecular Physics 122:6.
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Guang Yang, Kaifeng Chen, Xiaofeng Jin & Dapeng Yang. (2021) Uncovering photo-excited intramolecular charge transfer and ESIPT mechanism for 5,5′-(9,9-dioctyl-9H-fluorene-2,7-diyl) bis(2-benzo[d]thiazol-2-yl) phenol compound. Molecular Physics 119:3.
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Mohammad Ghashghaee, Zahra Azizi & Mehdi Ghambarian. (2020) Substitutional doping of black phosphorene with boron, nitrogen, and arsenic for sulfur trioxide detection: a theoretical perspective. Journal of Sulfur Chemistry 41:4, pages 399-420.
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Guoqing Liu, Xin Xin, Hongbin Zhuang, Xiaoxue Wu, Dan Su, Qiang Guo & Wei Shi. Unlocking the potential of solvent polarity in directing ESIPT pathways of HHMB with dual hydrogen bond acceptors: a DFT/TD-DFT study. Molecular Physics 0:0.
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Xiaohan Zhang, Hongbin Zhuang, Guijie Zhao, Qiang Guo & Wei Shi. Reversible ratiometric fluorescence probe for the detection of HClO/H2S based on excited state intramolecular proton transfer mechanism. Molecular Physics 0:0.
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Articles from other publishers (9)

Luís F. B. Fontes, João Rocha, Artur M. S. Silva & Samuel Guieu. (2023) Excited‐State Proton Transfer in Luminescent Dyes: From Theoretical Insight to Experimental Evidence. Chemistry – A European Journal 29:57.
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Manjunatha B, Yadav D. Bodke, Nagaraja O, Lohith T. N, Nagaraju G & Sridhar MA. (2021) Coumarin-Benzothiazole Based Azo Dyes: Synthesis, Characterization, Computational, Photophysical and Biological Studies. Journal of Molecular Structure 1246, pages 131170.
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Mohammad Ghashghaee, Hassan Arabi & Mehdi Ghambarian. (2021) Molecular-level insights into adsorption of a novel silyl ester donor on essential MgCl2 facets of supported Ziegler–Natta catalysts. Journal of Physics and Chemistry of Solids 159, pages 110249.
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Mohsen Oftadeh, Zahra Barfarakh & Fatemeh Ravari. (2021) Luminescent excited-state intramolecular proton-transfer dyes based on 4-functionalized 6,6′-dimethyl-3,3′-dihydroxy-2,2′-bipyridine (BP(OH)2-Rs); DFT simulation study. Journal of Molecular Graphics and Modelling 107, pages 107948.
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Xiaoqian Zhang, Huilin Wan, Chaozheng Li & Yufang Liu. (2021) Theoretical unraveling detailed excited state proton transfer mechanism for 2,5‐bis (benzoxazol‐2‐yl)thiophene‐3,4‐diol‐ethyl compound in different solvents. Journal of Physical Organic Chemistry 34:7.
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Mohammad Ghashghaee & Mehdi Ghambarian. (2020) Highly improved carbon dioxide sensitivity and selectivity of black phosphorene sensor by vacancy doping: A quantum chemical perspective . International Journal of Quantum Chemistry 120:16.
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Mehdi Ghambarian, Zahra Azizi & Mohammad Ghashghaee. (2020) Hydrogen detection on black phosphorene doped with Ni, Pd, and Pt: Periodic density functional calculations. International Journal of Hydrogen Energy 45:32, pages 16298-16309.
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Ayhan Üngördü. (2019) Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media. International Journal of Quantum Chemistry 120:6.
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Lei Xu, Tianjie Zhang, Dapeng Yang & Qiaoli Zhang. (2019) Theoretical insights into excited‐state process for the novel 2,3‐bis[(4‐diethylamino‐2‐hydroxybenzylidene)amino]but‐2‐enedinitrile system. Journal of the Chinese Chemical Society 67:2, pages 227-234.
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