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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 Lia School of Mechanical and Electrical Engineering, Henan Institute of Science and Technology, Xinxiang, People’s Republic of China.View further author information

Hao Dongb Hebei Key Laboratory of Physics and Energy Technology, Department of Mathematics and Physics, North China Electric Power University, Baoding, People’s Republic of China.Correspondence[email protected] [email protected]
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Rivaille Liuc Goertek Institute of Technology, Goertek Technology Co Ltd, Qingdao, People’s Republic of China.View further author information

Article: e2304104 | Received 10 Dec 2023, Accepted 07 Jan 2024, Published online: 16 Jan 2024

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https://doi.org/10.1080/00268976.2024.2304104
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I. Alkorta, I. Rozas and J. Elguero, Chem. Soc. Rev. 27, 163 (1998). doi:10.1039/a827163z
Web of Science ®Google Scholar
G. Gilli and P. Gilli, J. Mol. Struct. 552, 1 (2000). doi:10.1016/S0022-2860(00)00454-3
Web of Science ®Google Scholar
O. Sytina, D. Heys, C. Hunter, M. Alexandre, I. Stokkum and R. Grondelle, Nature. 456, 1001 (2008). doi:10.1038/nature07354
PubMed Web of Science ®Google Scholar
D. Kanamori, T. Okamura, H. Yamamoto and N. Ueyama, Angew. Chem. Int. Ed. 44, 969 (2005). doi:10.1002/anie.200461842
PubMed Web of Science ®Google Scholar
S. Suh, J. Kim, Y. Chois, S. Yun and K. Kim, J. Am. Chem. Soc. 126, 2186 (2004). doi:10.1021/ja037607a
PubMed Web of Science ®Google Scholar
Y. Erez, Y. Liu, N. Amdursky and D. Huppert, J. Phys. Chem. A. 115, 8479 (2011). doi:10.1021/jp204520r
PubMed Web of Science ®Google Scholar
G. Li, G. Zhao, Y. Liu, K. Han and G. He, J. Comput. Chem. 31, 1759 (2010). doi:10.1002/jcc.21466
PubMed Web of Science ®Google Scholar
A. Weller, Z. Electrochem. 60, 1144 (1956).
Google Scholar
E. Ota, H. Wang, N. Frye and R. Knowles, J. Am. Chem. Soc. 141, 1457 (2019). doi:10.1021/jacs.8b12552
PubMed Web of Science ®Google Scholar
G. Zhao, J. Liu, L. Zhou and K. Han, J. Phys. Chem. B. 111, 8940 (2007). doi:10.1021/jp0734530
PubMed Web of Science ®Google Scholar
G. Li, W. Li, H. Zhang and X. Sun, J. Theor. Comput. Chem. 13, 1450006 (2014). doi:10.1142/S0219633614500060
Google Scholar
A. Sedgwick, L. Wu, H. Han, S. Bull, X. He, T. James, J. Sessler, B. Tang, H. Tian and J. Yoon, Chem. Soc. Rev. 47, 8842 (2018). doi:10.1039/C8CS00185E
PubMed Web of Science ®Google Scholar
J. Zhao and B. Jin, Spectrochim. Acta A. 250, 119394 (2021). doi:10.1016/j.saa.2020.119394
Google Scholar
T. Markland and M. Ceriotti, Nat. Rev. Chem. 2, 0109 (2018). doi:10.1038/s41570-017-0109
Web of Science ®Google Scholar
Y. Chen, K. Tang, Y. Chen, J. Shen, Y. Wu, S. Liu, C. Lee, C. Chen, T. Lai, S. Tung, R. Jeng, W. Hung, M. Jiao, C. Wu and P. Chou, Chem. Sci. 7, 3556 (2016). doi:10.1039/C5SC04902D
PubMed Web of Science ®Google Scholar
J. Zhao, J. Chen, Y. Cui, J. Wang, L. Xia, Y. Dai, P. Song and F. Ma, Phys. Chem. Chem. Phys. 17, 1142 (2015). doi:10.1039/C4CP04135F
PubMed Web of Science ®Google Scholar
Y. Zhao, Y. Ding, Y. Yang, W. Shi and Y. Li, Org. Chem. Front. 6, 597 (2019). doi:10.1039/C8QO01320A
Web of Science ®Google Scholar
Z. Zhang, Y. Hsu, Y. Chen, C. Chen, T. Lin, J. Shen and P. Chou, Chem. Commun. 50, 15026 (2014). doi:10.1039/C4CC07109C
PubMed Web of Science ®Google Scholar
J. Zhao and B. Jin, J. Mol. Liq. 326, 115309 (2021). doi:10.1016/j.molliq.2021.115309
Web of Science ®Google Scholar
B. Curchod and T. Martinez, Chem. Rev. 118, 3305 (2018). doi:10.1021/acs.chemrev.7b00423
PubMed Web of Science ®Google Scholar
A. Acharya, A. Bogdanov, B. Grigorenko, K. Bravaya, A. Nemukhin, K. Lukyanov and A. Krylov, Chem. Rev. 117, 758 (2017). doi:10.1021/acs.chemrev.6b00238
PubMed Web of Science ®Google Scholar
C. Sun, H. Zhao, X. Liu, H. Yin and Y. Shi, Org. Chem. Front. 5, 3435 (2018). doi:10.1039/C8QO00998H
Web of Science ®Google Scholar
Q. Zhang, G. Yang, X. Song, J. Zhao and D. Yang, J. At. Mol. Sci. 9, 7 (2018).
Web of Science ®Google Scholar
H. Li, J. Han, H. Zhao, X. Liu, Y. Luo, Y. Shi, C. Liu, M. Jin and D. Ding, J. Phys. Chem. Lett. 10, 748 (2019). doi:10.1021/acs.jpclett.9b00026
PubMed Web of Science ®Google Scholar
J. Zhao, Z. Li and B. Jin, J. Lumin. 238, 118231 (2021). doi:10.1016/j.jlumin.2021.118231
Web of Science ®Google Scholar
X. Wu, W. Shi, Y. Yang, D. Zhao and Y. Li, Spectrochim. Acta A. 287, 122051 (2022). doi:10.1016/j.saa.2022.122051
Google Scholar
L. Gagliardi, D. Truhlar, G.L. Manni, R. Carlson, C. Hoyer and J. Bao, Acc. Chem. Res. 50, 66 (2017). doi:10.1021/acs.accounts.6b00471
PubMed Web of Science ®Google Scholar
V. Tomin, A. Demchenko and P. Chou, J. Photochem. Photobiol. C. 22, 1 (2015). doi:10.1016/j.jphotochemrev.2014.09.005
Web of Science ®Google Scholar
G. Zhao and K. Han, Acc. Chem. Res. 45, 404 (2012). doi:10.1021/ar200135h
PubMed Web of Science ®Google Scholar
A. Demchenko, K. Tang and P. Chou, Chem. Soc. Rev. 42, 1379 (2013). doi:10.1039/C2CS35195A
PubMed Web of Science ®Google Scholar
G. Zhao, W. Shi, X. Xin, F. Ma and Y. Li, J. Lumin. 266, 120305 (2024). doi:10.1016/j.jlumin.2023.120305
Google Scholar
D. Yang, J. Zhao, J. Chen, M. Jia and X. Song, J. Mol. Liq. 261, 350 (2018). doi:10.1016/j.molliq.2018.04.060
Web of Science ®Google Scholar
J. Zhao, J. Chen, J. Liu and M. Hoffmann, Phys. Chem. Chem. Phys. 17, 11990 (2015). doi:10.1039/C4CP05651E
PubMed Web of Science ®Google Scholar
J. Huang, K. Yu, H. Ma, S. Chai and B. Dong, Dyes Pigments. 141, 441 (2017). doi:10.1016/j.dyepig.2017.02.047
Web of Science ®Google Scholar
C. Peng, J. Shen, Y. Chen, P. Wu, W. Hung, W. Hu and P. Chou, J. Am. Chem. Soc. 137, 14349 (2015). doi:10.1021/jacs.5b08562
PubMed Web of Science ®Google Scholar
H. Wang, D. Shi, J. Li, H. Tang, J. Li and Y. Guo, Sen Actuators B. 256, 600 (2018). doi:10.1016/j.snb.2017.10.124
Web of Science ®Google Scholar
V. Padalkar and S. Seki, Chem. Soc. Rev. 45, 169 (2016). doi:10.1039/C5CS00543D
PubMed Web of Science ®Google Scholar
L. Chen, H. Oh, D. Wu, M. Kim and J. Yoon, Chem. Commun. 54, 2276 (2018). doi:10.1039/C7CC09901K
PubMed Web of Science ®Google Scholar
L. Bai, W. Feng and G. Feng, Dyes Pigments. 163, 483 (2019). doi:10.1016/j.dyepig.2018.12.013
Web of Science ®Google Scholar
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Scalmani, G. Cheeseman, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski and D.J. Fox, Gaussian 09, Revision D. 01 (Gaussian, Inc, Wallingford, CT, 2009).
Google Scholar
C. Lee, W. Yang and R. Parr, Phys. Rev. B. 37, 785 (1988). doi:10.1103/PhysRevB.37.785
PubMed Web of Science ®Google Scholar
B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett. 157, 200 (1989). doi:10.1016/0009-2614(89)87234-3
Web of Science ®Google Scholar
W. Kolth, A. Becke and R. Parr, J. Phys. Chem. 100, 12974 (1996). doi:10.1021/jp960669l
Web of Science ®Google Scholar
S. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980). doi:10.1139/p80-159
Web of Science ®Google Scholar
A. Becke, J. Chem. Phys. 98, 5648 (1993). doi:10.1063/1.464913
Web of Science ®Google Scholar
D. Feller, J. Comput. Chem. 17, 1571 (1996). doi:10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
Web of Science ®Google Scholar
B. Mennucci, E. Cances and J. Tomasi, J. Phys. Chem. B. 101, 10506 (1997). doi:10.1021/jp971959k
Web of Science ®Google Scholar
E. Cances, B. Mennucci and J. Tomasi, J. Chem. Phys. 107, 3032 (1997). doi:10.1063/1.474659
Web of Science ®Google Scholar
R. Cammi and J. Tomasi, J. Comput. Chem. 15, 1449 (1995). doi:10.1002/jcc.540161202
Google Scholar
T. Lu and Q. Chen, Chem. Methods. 1, 231 (2021). doi:10.1002/cmtd.202100007
Google Scholar
Y. Song, S. Lui, Y. Ma, Y. Yang, Y. Li and J. Xu, J. Mol. Struct. 1173, 341 (2018). doi:10.1016/j.molstruc.2018.04.091
Web of Science ®Google Scholar
J. Huang, W. Teng, D. Chen and H. Ma, J. Mol. Liq. 249, 957 (2018). doi:10.1016/j.molliq.2017.11.121
Web of Science ®Google Scholar
J. Zhao and C. Liu, Molecules. 28, 5951 (2023). doi:10.3390/molecules28165951
PubMedGoogle Scholar
X. Xin, Y. Zhao, W. Shi, G. Zhao and Y. Li, J. Phys. Chem. A. 126, 5126 (2022). doi:10.1021/acs.jpca.2c03333
PubMedGoogle Scholar
G. Zhao, W. Shi, X. Xin, Y. Yang, F. Ma and Y. Li, Spectrochim. Acta A. 286, 121935 (2023). doi:10.1016/j.saa.2022.121935
Google Scholar
S. Liu, J. Pan, D. Wei, J. Xu, Y. Zhou and Y. Song, Can. J. Phys. 97, 721 (2019). doi:10.1139/cjp-2018-0503
Web of Science ®Google Scholar
G. Li, G. Zhao, K. Han and G. He, J. Comput. Chem. 32, 668 (2011). doi:10.1002/jcc.21651
PubMed Web of Science ®Google Scholar
J. Zhao, P. Song, L. Feng, X. Wang and Z. Tang, J. Mol. Liq. 380, 121763 (2023). doi:10.1016/j.molliq.2023.121763
Google Scholar
G. Zhao, Y. Yang, C. Zhang, Y. Song and Y. Li, J. Lumin. 230, 117741 (2021). doi:10.1016/j.jlumin.2020.117741
Google Scholar
J. Zhao, B. Jin and Z. Tang, Phys. Chem. Chem. Phys. 24, 27660 (2022). doi:10.1039/D2CP03828E
PubMed Web of Science ®Google Scholar
S. Liu, Y. Zhao, C. Zhang, L. Lin, Y. Li and Y. Song, Spectrochim. Acta A. 219, 164 (2019). doi:10.1016/j.saa.2019.04.053
Web of Science ®Google Scholar
J. Zhao, H. Yao, J. Liu and M.R. Hoffmann, J. Phys. Chem. A. 119, 681 (2015). doi:10.1021/jp5120459
PubMed Web of Science ®Google Scholar
E. Espinosa, E. Molins and C. Lecomte, Chem. Phys. Lett. 285, 170 (1998). doi:10.1016/S0009-2614(98)00036-0
Web of Science ®Google Scholar
L. Serrano-Andres and M. Merchan, J. Photochem. Photobiol. C. 10, 21 (2009). doi:10.1016/j.jphotochemrev.2008.12.001
Web of Science ®Google Scholar
Y. Saga and Y. Shibata, J. Photochem. Photobiol. C. 11, 15 (2010). doi:10.1016/j.jphotochemrev.2010.02.002
Web of Science ®Google Scholar
A. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 1, 3065 (1999). doi:10.1039/a902565k
Web of Science ®Google Scholar
X. Liu, H. Yin, H. Li and Y. Shi, Spectrochim. Acta A. 177, 1 (2017). doi:10.1016/j.saa.2017.01.022
Web of Science ®Google Scholar

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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

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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

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