Ab initio study of the excited-state proton transfer mechanisms for 3-hydroxy-2-(thiophen-2-yl)chromen-4-one

Huipeng Ma and Jin-dou Huang

RSC Adv., 2016, 6, 96147
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Fluorescence quenching of deprotonated phenylurea through twisting motion induced by an electron-donating substituent group

Hang Su, Qian Yang, Meng-Huan Jiang, Ya-Jing Peng, Jun Gao, Yu-Hui Liu and Chaoyuan Zhu

Phys. Chem. Chem. Phys., 2024, 26, 21155
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Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH

Dapeng Yang, Jinfeng Zhao, Guang Yang, Nahong Song, Rui Zheng and Yusheng Wang

Org. Chem. Front., 2017, 4, 1935
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The mechanism of the excited-state multiple proton transfer reaction for 3-Me-2,6-diazaindole in aqueous solution

Jin-Dou Huang and Huipeng Ma

Org. Chem. Front., 2018, 5, 2749
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The role played by ethanol in achieving the successive versus simultaneous mechanism of excited-state double proton transfer in dipyrido[2,3-a:3′,2′-i]carbazole

Jianhui Han, Xiaochun Liu, Hui Li, Hang Yin, Huifang Zhao, Lina Ma, Yaodong Song and Ying Shi

Phys. Chem. Chem. Phys., 2018, 20, 26259
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The mechanism of ratiometric fluoride sensing and the ESIPT process for 2,6-dibenzothiazolylphenol and its derivative

Hao Dong, Jinfeng Zhao, Huan Yang and Yujun Zheng

Org. Chem. Front., 2018, 5, 1241
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The investigation of ESPT for 2,8-diphenyl-3,7-dihydroxy-4H,6H-pyrano[3,2-g]-chromene-4,6-dione: single or double?

Jinfeng Zhao and Peng Li

RSC Adv., 2015, 5, 73619
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Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems

Dapeng Yang, Qiaoli Zhang, Xiaoyan Song and Tianjie Zhang

RSC Adv., 2019, 9, 23004
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Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study

Chanatkran Prommin, Khanittha Kerdpol, Tinnakorn Saelee and Nawee Kungwan

New J. Chem., 2019, 43, 19107
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A theoretical study of the potential energy surfaces for the double proton transfer reaction of model DNA base pairs

Chaozheng Li, Yonggang Yang, Donglin Li and Yufang Liu

Phys. Chem. Chem. Phys., 2017, 19, 4802
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A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge

Yu-Hui Liu, Shi-Ming Wang, Chaoyuan Zhu and Sheng Hsien Lin

New J. Chem., 2017, 41, 8437
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A theoretical study about the excited state intermolecular proton transfer mechanisms for 2-phenylimidazo[4,5-b]pyridine in methanol solvent

Dapeng Yang, Jinfeng Zhao, Min Jia and Xiaoyan Song

RSC Adv., 2017, 7, 34034
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The fluorescence quenching phenomenon in newly synthesized blue fluorescence protein molecule caused by anchoring group substitution: a DFT and TD-DFT study

Chi Ma, Yufang Liu, Chaozheng Li and Yonggang Yang

RSC Adv., 2017, 7, 13561
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Effect of amino group on the excited-state intramolecular proton transfer (ESIPT) mechanisms of 2-(2′-hydroxyphenyl)benzoxazole and its amino derivatives

Chaozheng Li, Yonggang Yang, Chi Ma and Yufang Liu

RSC Adv., 2016, 6, 5134
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The excited-state multiple proton transfer mechanism of the 7-hydroxyquinoline–(CH3OH)3cluster

Yanling Cui, Hong Zhao, Jinfeng Zhao, Pengyu Li, Peng Song and Lixin Xia

New J. Chem., 2015, 39, 9910
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A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties

Yutai Qi, Meiheng Lu, Yi Wang, Zhe Tang, Ziqing Gao, Jing Tian, Xu Fei, Yao Li and Jianyong Liu

Org. Chem. Front., 2019, 6, 3136
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A competitive excited state dynamical process for the 2,2′-((1E,1′E)-((3,3′-dimethyl-[1,1′-biphenyl]-4,4′-diyl)-bis(azanylylidene))bis(methanylylidene))-diphenol system

Dapeng Yang, Guang Yang, Jinfeng Zhao, Rui Zheng and Yusheng Wang

RSC Adv., 2017, 7, 1299
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Is the origin of green fluorescence in unsymmetrical four-ring bent-core liquid crystals single or double proton transfer?

Venkatesh Gude, Manobina Karmakar, Avishek Dey, Prasanta Kumar Datta and Kumar Biradha

Phys. Chem. Chem. Phys., 2020, 22, 4731
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Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

Jinfeng Zhao, Junsheng Chen, Jianyong Liu and Mark R. Hoffmann

Phys. Chem. Chem. Phys., 2015, 17, 11990
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Density functional theoretical investigation of intramolecular proton transfer mechanisms in the derivatives of 3-hydroxychromone

Jin-Dou Huang, Jianbin Zhang, Dengyi Chen and Huipeng Ma

Org. Chem. Front., 2017, 4, 1812
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Photophysics of proton transfer in hydrazides: a combined theoretical and experimental analysis towards OLED device application

Makesh Mohan, M. N. Satyanarayan and Darshak R. Trivedi

New J. Chem., 2019, 43, 10413
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Detailed theoretical investigation on ESIPT process of pigment yellow 101

Meixia Zhang, Qiao Zhou, Can Du, Yong Ding and Peng Song

RSC Adv., 2016, 6, 59389
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Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one

Yunpeng Chen, Yunfan Yang, Yu Zhao, Shixing Liu and Yongqing Li

Phys. Chem. Chem. Phys., 2019, 21, 17711
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The dual-luminescence mechanism of the ESIPT chemosensor tetrasubstituted imidazole core compound: a TDDFT study

Na Qiao, Ning-Ning Wei, Jianing Zhang and Ce Hao

New J. Chem., 2018, 42, 11804
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Regulated stepwise ESDPT mechanism associated with chalcogen substitutions in BDIBD derivatives

Chang Liu, Jinfeng Zhao, Jiahe Chen, Mingwei Wang, Mengmeng Hou and Liang Yang

Phys. Chem. Chem. Phys., 2024, 26, 6335
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Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses

Jianzhong Chen, Xinguo Liu, Shaolong Zhang, Junxiao Chen, Haibo Sun, Lin Zhang and Qinggang Zhang

Phys. Chem. Chem. Phys., 2020, 22, 2262
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Deciphering the excited state intramolecular charge-coupled double proton transfer in an asymmetric quinoline–benzimidazole system

Gulshan Kumar, Kamaldeep Paul and Vijay Luxami

New J. Chem., 2020, 44, 12866
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Ingenious modification of molecular structure effectively regulates excited-state intramolecular proton and charge transfer: a theoretical study based on 3-hydroxyflavone

Jianhui Han, Xiaochun Liu, Chaofan Sun, You Li, Hang Yin and Ying Shi

RSC Adv., 2018, 8, 29589
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Excited state proton transfer in the triplet state of 8-hydroxy-5-nitroquinoline: a transient absorption and time-resolved resonance Raman spectroscopic study

Ran Wang, Fengjin Zhang, Xinghang Pan, Xuming Zheng, Jiadan Xue, Yong Du and Binbin Xie

Phys. Chem. Chem. Phys., 2023, 25, 402
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Theoretical uncovering of the chalcogen element regulated ESDPT behaviors for 2,5-bis(2-benzoxazolyl)-hydroquinone derivatives

Jiahe Chen and Jinfeng Zhao

RSC Adv., 2024, 14, 26133
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Exploring and elaborating the novel excited state dynamical behavior of a bisflavonol system

Jinfeng Zhao, Hao Dong, Huan Yang and Yujun Zheng

Org. Chem. Front., 2018, 5, 2710
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Solvent-polarity-dependent conformation and ESIPT behaviors for 2-(benzimidazol-2-yl)-3-hydroxychromone: a novel dynamical mechanism

Jinfeng Zhao, Bing Jin and Zhe Tang

Phys. Chem. Chem. Phys., 2022, 24, 27660
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Theoretical research on excited-state intramolecular proton coupled charge transfer modulated by molecular structure

Dapeng Yang, Guang Yang, Min Jia, Xiaoyan Song, Qiaoli Zhang, Tianjie Zhang and Haiyan Gao

RSC Adv., 2018, 8, 29662
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Elaboration and controlling excited state double proton transfer mechanism of 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol

Jinfeng Zhao and Yujun Zheng

Sci Rep, 2017, 7
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Theoretical insights into the ESIPT process for π‐conjugated benzimidazole compounds

Yusheng Wang, Guang Yang and Dapeng Yang

J of Physical Organic Chem, 2018, 31
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Tactfully revealing the working mechanisms on a tetraarylimidazole derivative: AIE characteristic, ESIPT process and ICT effect integrating in one molecule

Min Liu, Shibo Zhong, Bin Feng, Yueming Ren, Xiaohui Liu, Shuaige Bai, Fei Chen, Shao Liu and Wenbin Zeng

Chinese Chemical Letters, 2023, 34, 107940
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Theoretical study on the effect of naphthalene modifications on the ESIPT mechanism and photophysical properties of benzimidazoles

Xiaoyang Liu, Meiling Cheng, Lujia Yang, Mingli Wang, Yunfan Yang and Jianhui Han

Journal of Luminescence, 2024, 269, 120495
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Theoretical regulation of ESIPT behavior by varying the π-expansion of proton acceptor for substituted hydroxyl fluorenes

Liying Song, Xuan Meng, Haiyun Han, Jinfeng Zhao and Daoyuan Zheng

Chemical Physics, 2022, 552, 111376
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A detailed theoretical study on the excited‐state hydrogen‐bonding dynamics and the proton transfer mechanism for a novel white‐light fluorophore

Haiyan Gao, Guang Yang, Min Jia, Xiaoyan Song, Qiaoli Zhang and Dapeng Yang

J Chinese Chemical Soc, 2019, 66, 56
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Theoretical investigation of excited state charge and proton transfer mechanism for the novel 10‐methyl‐indolo[2,3‐a]‐indolo[2,3‐a′]acridone molecule

Guang Yang, Kaifeng Chen, Xiaofeng Jin and Dapeng Yang

J of Physical Organic Chem, 2020, 33
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The excited state behaviors of 3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methoxybenzaldehyde system in aprotic solvents

Junyu Li, Shiquan Feng, Xuechao Feng, Jie Wu and Liancai Xu

Chemical Physics, 2021, 549, 111280
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Elaborating the excited state multiple proton transfer mechanism for 9H-pyrido[3,4-b]indole

Jinfeng Zhao, Hao Dong and Yujun Zheng

Journal of Luminescence, 2018, 195, 228
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Theoretical insights into photochemical behavior and ESIPT mechanism for 2,6-dimethyl phenyl derivatives

Qiaqia Guo, Debin Ji and Jinfeng Zhao

Chemical Physics Letters, 2021, 767, 138377
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Modulating N H-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2′-aminophenyl)benzothiazole compounds

Dapeng Yang, Tianjie Zhang, Min Jia and Shibo Cheng

Chemical Physics Letters, 2019, 724, 57
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Study of fluorescence probe transfer mechanism based on a new type of excited-state intramolecular proton transfer

Yumei Dai, Jinfeng Zhao, Yanling Cui, Qianyu Wang, Peng Song, Fengcai Ma and Yangyang Zhao

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015, 144, 76
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Theoretical investigation of excited-state single and double proton transfer mechanisms for 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol

Jin-Dou Huang, Kun Yu, Huipeng Ma, Shuo Chai and Bin Dong

Dyes and Pigments, 2017, 141, 441
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A theoretical investigation about the excited state behavior for 2‐(6'‐hydroxy‐2'‐pyridyl)benzimidazole: The water‐assisted excited state proton transfer process

Yuping Tong, Jing Fu and Juntao Ma

J Chinese Chemical Soc, 2018, 65, 822
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Deciphering the excited state behavior for 2-(4′-N,N-Dimethylaminophenyl)imidazo[4,5-b]pyridine

Jinfeng Zhao, Xiaoyan Liu and Yujun Zheng

Journal of Luminescence, 2017, 188, 1
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Domination of H-Bond Interactions in the Solvent-Triggering Gelation Process

Chengcheng Zhao, Yanyao Wang, Bofang Shi, Mingtao Li, Wei Yan and Honghui Yang

Langmuir, 2022, 38, 7965
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Ultrafast transient absorption spectra of photoexcited YOYO-1 molecules call for additional investigations of their fluorescence quenching mechanism

Lei Wang, Joseph R. Pyle, Katherine L.A. Cimatu and Jixin Chen

Journal of Photochemistry and Photobiology A: Chemistry, 2018, 367, 411
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How the atomic electron-accepting ability affect the double ESIPT process of 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol?

Chaofan Sun, Xin Zhang, Lihe Diao, Bifa Cao, Hang Yin and Ying Shi

Journal of Luminescence, 2020, 225, 117329
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Fate of protected HBT based chemodosimeters after undergoing deprotection: Restoration of ESIPT or generation of emissive phenoxide?

Arghyadeep Bhattacharyya, Subhash Chandra Makhal and Nikhil Guchhait

Chemical Physics, 2019, 520, 61
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Theoretical revealing regulated ESIPT behaviors by atomic electronegativity for quercetin fluorophore

Jinfeng Zhao, Bing Jin and Zhe Tang

Chemical Physics Letters, 2023, 810, 140194
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Molecular mechanism of inhibitor bindings to bromodomain-containing protein 9 explored based on molecular dynamics simulations and calculations of binding free energies

Y. Wang, L.F. Wang, L.L. Zhang, H.B. Sun and J. Zhao

SAR and QSAR in Environmental Research, 2020, 31, 149
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Unraveling photoexcitation dynamical behavior for bis (salicylidene)‐1,5‐diaminonaphthalene (BSD) system

Jiemin Wang, Qiang Liu and Dapeng Yang

J of Physical Organic Chem, 2020, 33
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Hydrogen bond capability tunable different “relay-race” mechanisms of the excited-state proton transfer process for 4′-methoxy-3-hydroxyflavone

Hui Li, Chao Xin, Jixing Cai, Boshi Yuan, Zhi Wei and Guangyong Jin

Organic Electronics, 2020, 81, 105678
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Fluoride anion sensing mechanism of 2‐(quinolin‐2‐yl)‐3‐hydroxy‐4H‐chromen‐4‐one chemosensor based on inhibition of excited state intramolecular ultrafast proton transfer

Junyu Li, Shiquan Feng, Liancai Xu and Xuechao Feng

J of Physical Organic Chem, 2020, 33
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LE and ICT properties of pyrazolo[1,5-a]pyrimidines based dyes: Experiments and DFT/TDDFT calculations

Mehdi Messaad, Slim Elleuch and Mohamed Kossentini

Journal of Luminescence, 2023, 257, 119772
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Detection mechanism of glutathione by off–on fluorescent probe based on excited state intramolecular proton transfer

Heyao Yuan, Xiaolong Li, Jin Li, Hengwei Zhang, Ming Chen and Yi Wang

Chemical Physics Letters, 2024, 843, 141245
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TDDFT study on excited state intramolecular proton transfer mechanism in 2-amino-3-(2′-benzazolyl)-quinolines

Xueli Jia, Chaozheng Li, Donglin Li and Yufang Liu

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2018, 192, 168
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Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule

Qiaoli Zhang, Xiaohui Yang, Dapeng Yang and Shibo Cheng

Chemical Physics Letters, 2019, 730, 485
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Conformations and tautomerisation between (Z)-4-(hydroxyethyl) isochroman-1, 3-dione and and 4-acetyl-3-hydroxyisochroman-1-one: A computational study through Energy, electron Distribution, vibrational analysis and hardness profiles

Abhijit Chakraborty and Goutam Dey

Computational and Theoretical Chemistry, 2021, 1206, 113486
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Theoretical study of the atomic electronegativity effects on the ESIPT of 4-methoxy-3-hydroxyflavone derivatives

Min Jia, Kai Xu, Jian Lv and Dapeng Yang

Chemical Physics Letters, 2022, 802, 139789
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Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds

Yusheng Wang, Guang Yang, Qiaoli Zhang, Xiaoyan Song and Dapeng Yang

Struct Chem, 2018, 29, 1817
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Insights into photo-induced excited state behaviors for 2-[4-(Di-tert-butyl-amino)-phenyl]-5-(5-fluoro-benzooxazol-2-yl)-benzofuran-6-ol: Solvent effects

Mingzhe Li, Xiaoxiao Li, Lu Feng, Jinfeng Zhao and Bing Jin

Chemical Physics Letters, 2023, 825, 140607
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The sensing mechanism of fluoride anion for a novel molecule D2: Desilylation and intramolecular charge transfer

Min Jia, Guang Yang, Yuanyuan Guo, Xiaoyan Song, Qiaoli Zhang and Dapeng Yang

J Chinese Chemical Soc, 2018, 65, 1014
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Evidence for stepwise excited state double proton transfer process in quinolone–pyrazole triggered by methanol solvent

Hui Li, Zhi Wei, Yao Ma, Wei Zhang, Di Wang, Xiao Wang and Guangyong Jin

Chemical Physics, 2020, 529, 110553
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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

Chi Ma, Yonggang Yang, Chaozheng Li and Yufang Liu

J. Phys. Chem. A, 2015, 119, 12686
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Theoretical investigation on ESIPT mechanism of a new fluorescent sensor in different solvents

Dapeng Yang, Rui Zheng, Yusheng Wang and Jian Lv

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2016, 159, 30
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A novel mechanism of intramolecular proton transfer in the excited state of 3-hydroxy-4H-benzochromone derivatives: A new explanation at the theoretical level

Xuan Meng, Liying Song, Haiyun Han, Jinfeng Zhao and Daoyuan Zheng

Journal of Photochemistry and Photobiology A: Chemistry, 2022, 425, 113690
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Sensing Mechanism of Excited‐State Intermolecular Hydrogen Bond for Phthalimide: Indispensable Role of Dimethyl Sulfoxide

Dongdong Wang, Tianxin Bai, Xue Wang, Yuting Xiong, Yahui Zhang, Zhenqiang Shi, Fusheng Zhang, Wenqi Lu and Guangyan Qing

Chin. J. Chem., 2021, 39, 1113
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Modulating O-H-based excited-state intramolecular proton transfer by alkyl-substitutions at various positions of 1-hydroxy-11H-benzo[b]fluoren-11-one

Dapeng Yang, Min Jia, Qiaoli Zhang and Yusheng Wang

Journal of Luminescence, 2020, 219, 116913
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Mechanism for the Excited-State Multiple Proton Transfer Process of Dihydroxyanthraquinone Chromophores

Qiao Zhou, Can Du, Li Yang, Meiyu Zhao, Yumei Dai and Peng Song

J. Phys. Chem. A, 2017, 121, 4645
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A theoretical study on the excited‐state intramolecular proton transfer mechanism of 4′‐dimethylaminoflavonol chemosensor

Jian Lv, Guang Yang, Min Jia, Jinfeng Zhao, Xiaoyan Song and Qiaoli Zhang

J Chinese Chemical Soc, 2019, 66, 49
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Elaborating the excited state behavior of 2‐(4′‐N,N‐dimethylaminophenyl)‐imidazo[4,5‐c]pyridine coupling with methanol solvent

Dapeng Yang, Min Jia, Xiaoyan Song and Qiaoli Zhang

J of Physical Organic Chem, 2018, 31
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Exploring excited‐state proton transfer mechanism for 9,10‐dihydroxybenzo[h]quinolone

Dapeng Yang, Jingyuan Wu, Hao Dong, Min Jia and Xiaoyan Song

J of Physical Organic Chem, 2018, 31
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Deciphering molecular mechanism behind conformational change of the São Paolo metallo-β-lactamase 1 by using enhanced sampling

Jianzhong Chen, Jinan Wang, Laixue Pang, Wei Wang, Juan Zhao and Weiliang Zhu

Journal of Biomolecular Structure and Dynamics, 2021, 39, 140
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A theoretical exploration and regulating about the excited state process for 2‐(4‐(diphenylamino)phenyl)‐3‐hydroxy‐4H‐chromen‐4‐one system

Yusheng Wang, Qiaoli Zhang, Kai Xu, Weifen Jiang and Dapeng Yang

J of Physical Organic Chem, 2019, 32
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The excited state hydrogen bond and proton transfer mechanism of a novel dye CS‐Azine

Min Jia, Guang Yang, Xiaoyan Song, Qiaoli Zhang and Dapeng Yang

J of Physical Organic Chem, 2019, 32
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Exploring the possibilities of double proton transfer in hydrazides: A theoretical approach

Makesh Mohan, M.N. Satyanarayan and Darshak R. Trivedi

J of Physical Organic Chem, 2019, 32
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Theoretical insights into excited‐state process for the novel 2,3‐bis[(4‐diethylamino‐2‐hydroxybenzylidene)amino]but‐2‐enedinitrile system

Lei Xu, Tianjie Zhang, Dapeng Yang and Qiaoli Zhang

J Chinese Chemical Soc, 2020, 67, 227
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Excited state intramolecular proton transfer (ESIPT) luminescence mechanism for 4-N,N-diethylamino-3-hydroxyflavone in propylene carbonate, acetonitrile and the mixed solvents

Yan Chen, Yongzhe Piao, Xia Feng, Xi Yu, Xiaoning Jin and Guangjiu Zhao

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 224, 117416
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The investigation of excited state proton transfer mechanism in water-bridged 7-azaindole

Yong-Jia Zhang, Jin-Feng Zhao and Yong-Qing Li

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2016, 153, 147
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Solvent polarity dependent excited state hydrogen bond effects and intramolecular double proton transfer mechanism for 2-hydroxyphenyl-substituted benzo[1,2-d:4,5-d’]bisimidazole system

Jinfeng Zhao and Bing Jin

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 250, 119394
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Theoretical Investigation on Proton Transfer Directionality and Dynamics Behavior of 3-(Benzo[d]thiazol-2-yl)-2-hydroxy-5-methoxybenzaldehyde with Two Asymmetric Proton Acceptors

Xueli Jia, Ju Meng and Yufang Liu

J. Phys. Chem. A, 2024, 128, 8096
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Uncovering solvent-polarity-associated excited state behaviors for the novel PQ-BSD fluorophore: A theoretical study

Jiaoni Pan, Muhan Ma, Jiahe Chen, Xiran Gao and Jinfeng Zhao

Chemical Physics Letters, 2024, 854, 141564
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Effects of solvent polarity on the novel excited-state intramolecular thiol proton transfer and photophysical property compared with the oxygen proton transfer

Lujia Yang, Dan Zhang, Mingli Wang and Yunfan Yang

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 293, 122475
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Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline‐pyrazole isomer QP‐I: A theoretical study

Dapeng Yang, Guang Yang, Jinfeng Zhao, Nahong Song, Rui Zheng and Yusheng Wang

J of Physical Organic Chem, 2018, 31
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A theoretical investigation about sensing mechanism of fluoride anion for (E)‐2‐(2‐(dimethylamino)ethyl)‐6‐(4‐hydroxystyryl)‐1H‐benzo[de]‐isoquinoline‐1,3 (2H)‐dione

Xiaoyan Song, Guang Yang, Min Jia and Qiaoli Zhang

J of Physical Organic Chem, 2018, 31
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Unraveling solvent‐dependent hydrogen bonding interaction and excited‐state intramolecular proton transfer behavior for 2‐(benzo[d]thiazol‐2‐yl)‐4‐(9H‐carbazol‐9‐yl)phenol: A theoretical study

Hao Dong, Wenkun Jiang, Gang Lv and Yinghui Han

J Chinese Chemical Soc, 2023, 70, 8
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A theoretical investigation on the excited state intramolecular single or double proton transfer mechanism of a salicyladazine system

Qiaoli Zhang, Zhongjian Zhao, Shibo Cheng, Guang Yang, Tianjie Zhang, Min Jia and Xiaoyan Song

J Chinese Chemical Soc, 2019, 66, 1416
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Unraveling photo-induced proton transfer mechanism and proposing solvent regulation manner for the two intramolecular proton-transfer-site BH-BA fluorophore

Jinfeng Zhao, Bing Jin and Zhe Tang

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 288, 122141
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Unraveling the effect of two different polar solvents on the excited-state intramolecular proton transfer of 4′-methoxy-3-hydroxyflavone fluorescent dye

Chaozheng Li, Bo Hu and Yufang Liu

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Unraveling photo-excited behaviors and proton transfer mechanisms for coexisting 5-methoxy-salicylaldhyde azine isomers

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Theoretical Investigation of the ESIPT Mechanism for the 1-Hydroxy-9H-fluoren-9-one and 1-Hydroxy-11H-benzo[b]fluoren-11-one Chromophores

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Theoretical study of excited state intramolecular proton transfer (ESIPT) mechanism for a fluorophore in the polar and nonpolar solvents

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A TDDFT study on the hydrogen-bonding effect on ESIPT mechanism for [2,2′-bipyridyl]-3,3′-diol-(H2O)n (n = 0, 1, 2) clusters: single or double?

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Different ESIPT Mechanisms forAngular‐Shaped Quinacridone in Toluene and Dimethyl Formamide (DMF) Solvents: A Theoretical Study

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Understanding solvent polarity dependent excited state behavior and ESIPT mechanism for 2-benzo[b]thiphen-3-yl-3-hydroxy-6-methoxy-chroman-4-one compound

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A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide

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Elaborating and modulating the excited state intramolecular proton transfer behavior for 2-benzothiazole-2-yl-5-hex-1-ynyl-phenol

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A theoretical study on excited state proton transfer in 2‐(2′‐dihydroxyphenyl) benzoxazole

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Theoretical study on luminescence properties of a series of iridium complexes with high spin orbit coupling coefficients

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Insights into the excited state intramolecular proton transfer process and mechanism of the novel 3‐hydroxythioflavone system: A theoretical study

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New insights into the excited state intramolecular proton transfer (ESIPT) competition mechanism for different intramolecular hydrogen bonds of Kaempferol and Quercetin in solution

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Effects of oxygen family elements on electron-withdrawing nitryl-substituted 2-(2’-hydroxyphenyl)benzazole derivatives: a theoretical investigation

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A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)‐1‐((2,2‐Diphenylhydrazono)methyl)naphthalen‐2‐ol

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The mechanism of the excited-state proton transfer of Salicylaldehyde azine and 2,2'-[1,4-Phenylenebis{(E)- nitrilomethylidyne}] bisphenol: Via single or double proton transfer

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The mechanisms of a bifunctional fluorescent probe for detecting fluoride and sulfite based on excited-state intramolecular proton transfer and intramolecular charge transfer

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An analogy study on ESIPT reaction for 3BHC sensor between polar DMF and nonpolar toluene

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Uncovering the excited state trends and ESIPT mechanism for 2-(hydroxy-3-dimethyl-phenyl)-benzooxazole-6-carboxylicacid

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Effects of azole rings with different chalcogen atoms on ESIPT behavior for benzochalcogenazolyl-substituted hydroxyfluorenes

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Theoretical insights into the excited‐state process of 4‐tert‐butyl‐2‐(5‐(5‐tert‐butyl‐2‐methoxyphenyl)thiazolo[5,4‐d]thiazol‐2‐yl)‐phenol

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Systematic theoretical investigation of two novel molecules BtyC-1 and BtyC-2 based on ESIPT mechanism

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Solvent polarity dependent photo-induced excited state intramolecular proton transfer for triphenylamine centered bis unsymmetrical azine (TPOV): A computational study

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The direct evidence for ESPT route and ICT emission of N6-Methyladenine in aqueous solution

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Theoretical exploration about excited state proton transfer mechanism for a series of phenol–quinoline compounds

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New insight into the ultrafast excited state deactivation mechanism of guanosine in the gas phase

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Explaining the excited state behavior of t-DMASIP-b sensor: A theoretical study

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DFT/TDDFT based study to decipher the excited state intramolecular proton transfer process for 3-benzothiazol-2-yl-2-hydroxy-5-methyl-benzaldehyde-oxime

Chaozheng Li, Hao Dong and Rivaille Liu

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A DFT/TDDFT Study on Excited State Process of a Novel Probe 4′-Fluoroflavonol

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J Clust Sci, 2017, 28, 2449
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Exploring the ESIPT process and fluorescence properties of 2‑(2′-Hydroxyaryl)benzazole derivatives by expanding the π-conjugation framework

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Investigation on the excited state intramolecular proton transfer process for the novel 2‐(3,5‐dichloro‐2‐hydroxy‐phenyl)‐benzooxazole‐5‐carboxylicacid system

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Excited state hydrogen atom transfer in micro-solvated dicoumarol: A TDDFT/EFP1 study

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Theoretical unraveling detailed excited state proton transfer mechanism for 2,5‐bis (benzoxazol‐2‐yl)thiophene‐3,4‐diol‐ethyl compound in different solvents

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Theoretical insights into photo‐induced behavior for 3‐(1H‐phenanthro[9,10‐d]imidazol‐2‐yl)‐9‐phenyl‐9H‐carbazol‐4‐ol fluorophore: Solvation effects

Chang Liu, Han Chen, Lu Feng, Jinfeng Zhao and Liming Fan

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Unravelling photo-induced excited state dynamical process and ESIPT mechanism for 5-(diethylamino)-2-(((6-methoxybenzo[d]thiazol-2-yl)imino)methyl)phenol probe

Guang Yang, Kaifeng Chen, Yuanyuan Guo and Dapeng Yang

Chemical Physics Letters, 2020, 755, 137816
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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

Guang Yang, Xiaofeng Jin, Kaifeng Chen and Dapeng Yang

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Revelation of ESIPT mechanism for the novel fluorescent system HNIBT in toluene and methanol solvents: A TDDFT study

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Exploration and elaboration of photo-induced proton transfer dynamical mechanism for novel 2-[1,3]dithian-2-yl-6-(7aH-indol-2-yl)-phenol sensor*

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Determinant of ESIPT Mechanism by the Structure Designed for Symmetrical and Unsymmetrical Molecules

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Excited state intramolecular proton transfer via different size of hydrogen bond ring: a theoretical insight

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A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I

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Unidirectional photoisomerisation in a dual channel proton transfer molecule rhodamine B based Schiff Base: A ratiometric pH sensor

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NLOphoric donor-rigidified ESIPT dyes – Synthesis, pH study, solvatochromism and DFT insights

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Photo‐excited intramolecular charge transfer and excited state intramolecular proton transfer behaviors for HPIBT system: A theoretical investigation

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Deepening insights of AIE plus TICT activated fluorescent sensor mechanism in probe molecule DPA-CI

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Theoretical investigation on ESIPT mechanism for a novel Sal-3,4-benzophen system

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Dual-Channel Imine-Amine Photoisomerization in a Benzoimidazole and Benzothiazole Coupled System: Photophysics and Applications

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Theoretical insights into the spectral properties of a salicylideneaniline-based fluorescence chemosensor (SB1) and its sensing mechanism for cyanide anion

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An Excited State Intramolecular Proton Transfer-Based Fluorescent Probe with a Large Stokes Shift for the Turn-on Detection of Cysteine: A Detailed Theoretical Exploration

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ACS Omega, 2020, 5, 19695
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