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Ultrafast proton transfer dynamics of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents |
Simei Sun(孙四梅)1,†, Song Zhang(张嵩)2,‡, Jiao Song(宋娇)1, Xiaoshan Guo(郭小珊)1, Chao Jiang(江超)1, Jingyu Sun(孙静俞)3, and Saiyu Wang(王赛玉)1 |
1 Huangshi Key Laboratory of Photoelectric Technology and Materials, College of Physics and Electronic Science, Hubei Normal University, Huangshi 435002, China; 2 State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China; 3 Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002, China |
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Abstract The excited-state intramolecular proton transfer of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents is investigated using ultrafast femtosecond transient absorption spectroscopy combined with quantum chemical calculations. Conformational conversion from the syn-enol configuration to the keto configuration is proposed as the mechanism of excited-state intramolecular proton transfer. The duration of excited-state intramolecular proton transfer is measured to range from 50 fs to 200 fs in different solvents. This time is strongly dependent on the calculated energy gap between the N-S0 and T-S1 structures in the S1 state. Along the proton transfer reaction coordinate, the vibrational relaxation process on the S1 state potential surface is observed. The duration of the vibrational relaxation process is determined to be from 8.7 ps to 35 ps dependent on the excess vibrational energy.
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Received: 29 July 2021
Revised: 15 October 2021
Accepted manuscript online: 06 November 2021
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PACS:
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78.47.J-
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(Ultrafast spectroscopy (<1 psec))
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82.53.Ps
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(Femtosecond probing of biological molecules)
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82.53.Uv
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(Femtosecond probes of molecules in liquids)
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87.15.ag
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(Quantum calculations)
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Fund: Project supported by the Natural Science Foundation of Hubei Province, China (Grant No. 2020CFB468), the Guiding Project of Scientific Research Plan of Department of Education of Hubei Province, China (Grant No. B2020136), and the National Key Research and Development Program of China (Grant No. 2019YFA0307700), and the National Natural Science Foundation of China (Grant Nos. 11974381, 11674355, and 21507027). |
Corresponding Authors:
Simei Sun, Song Zhang
E-mail: simeisun@hbnu.edu.cn;zhangsong@wipm.ac.cn
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Cite this article:
Simei Sun(孙四梅), Song Zhang(张嵩), Jiao Song(宋娇), Xiaoshan Guo(郭小珊), Chao Jiang(江超), Jingyu Sun(孙静俞), and Saiyu Wang(王赛玉) Ultrafast proton transfer dynamics of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents 2022 Chin. Phys. B 31 027803
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