Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance

doi:10.1088/1674-1056/26/8/083102

中国物理B ›› 2017, Vol. 26 ›› Issue (8): 83102-083102.doi: 10.1088/1674-1056/26/8/083102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance

Yong Zhou(周勇), Yun-Kun Wang(王云坤), Xiao-Fei Wang(王晓菲), Yu-Jin Zhang(张玉瑾), Chuan-Kui Wang(王传奎)

1 Shandong Provincial Key Laboratory of Medical Physics and Image Processing Technology, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China;
2 School of Science, Qilu University of Technology, Jinan 250353, China

收稿日期:2017-03-21 修回日期:2017-05-05 出版日期:2017-08-05 发布日期:2017-08-05
通讯作者: Chuan-Kui Wang E-mail:ckwang@sdnu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11374195 and 11404193) and the Taishan Scholar Program of Shandong Province, China.

Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance

Yong Zhou(周勇)¹, Yun-Kun Wang(王云坤)¹, Xiao-Fei Wang(王晓菲)¹, Yu-Jin Zhang(张玉瑾)², Chuan-Kui Wang(王传奎)¹

1 Shandong Provincial Key Laboratory of Medical Physics and Image Processing Technology, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China;
2 School of Science, Qilu University of Technology, Jinan 250353, China

Received:2017-03-21 Revised:2017-05-05 Online:2017-08-05 Published:2017-08-05
Contact: Chuan-Kui Wang E-mail:ckwang@sdnu.edu.cn
About author:0.1088/1674-1056/26/8/
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11374195 and 11404193) and the Taishan Scholar Program of Shandong Province, China.

摘要/Abstract

摘要：

Optical properties and responsive mechanisms of three newly synthesized fluorescent probes for hypochlorous acid (HOCl) are investigated by employing time-dependent density functional theory. The computational results show that the absorption and emission properties of these probes change obviously when they react with hypochlorous acid. It is found that the probe FHZ has the best performance according to the probing behavior. Moreover, the responsive mechanisms of the probes are studied by analyzing the distributions of molecular orbitals and charge transfer, which are shown as the photon-induced electron transfer (PET) for FHZ and the intramolecular charge transfer (ICT) for the other two probes. Specially, solvent effect on optical properties of the probe FHZ before and after reaction is studied within the polarizable continuum model (PCM). It is shown that performance of the probe depends crucially on the solvent polarity. Our computational results agree well with the experimental measurement, and provide information for design of efficient two-photon fluorescent probes.

关键词: responsive mechanism, hypochlorous acid fluorescentprobe, solvent effect, two-photon absorption

Abstract:

Key words: responsive mechanism, hypochlorous acid fluorescentprobe, solvent effect, two-photon absorption

中图分类号: (Ab initio calculations)

31.15.A-

31.70.Dk (Environmental and solvent effects) 33.80.Wz (Other multiphoton processes)

周勇, 王云坤, 王晓菲, 张玉瑾, 王传奎. Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance[J]. 中国物理B, 2017, 26(8): 83102-083102.

Yong Zhou(周勇), Yun-Kun Wang(王云坤), Xiao-Fei Wang(王晓菲), Yu-Jin Zhang(张玉瑾), Chuan-Kui Wang(王传奎). Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance[J]. Chin. Phys. B, 2017, 26(8): 83102-083102.

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Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance

Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance

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