Volume 6, Issue 1
Sulfoxides as response elements for fluorescent chemosensors: Does it work?

Jun-Sheng Chen, Li Zhao, Yang Yang & Tian-Shu Chu

J. At. Mol. Sci., 6 (2015), pp. 1-10.

Published online: 2015-06

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  • Abstract
Our density functional theory (DFT)/time-dependent DFT (TDDFT) calculations for the sensing mechanism of a series of sulfoxide basedmetal-responsive fluorescent chemosensors, suggested that the intramolecular charge transfer (ICT) is not a reasonable mechanism for these chemosensors. The calculated electronic transition energies, the corresponding oscillator strengths of these chemosensors and the involving frontier molecular orbital analysis indicated that there is no obviously ICT state with a transition oscillator strength approaching to zero. The fluorescence quenching of these chemosensors cannot be explained by ICT process. The ground state optimized structures of chemosensors and their complexes indicated that there might be twisted excited configuration for these chemosensors and the twisted excited state configuration may response for the fluorescence quenching. The configuration change can be blocked in the Zn complex that is responsible for these complexes showing fluorescence emission enhancement. In order to understand the function of the sulfoxides group in these metal-responsive fluorescent chemosensors, excited state configuration optimization as well as the excited state hydrogen bond effect on the fluorescence enhancement in the aqueous solvent will be conducted.
  • Keywords

Fluorescent probes Sensing mechanism Density functional calculations Intramolecular charge transfer (ICT) sulfoxide moiety

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

zhaoli282@upc.edu.cn (Li Zhao)

yyang7@mtu.edu (Yang Yang)

tschu@dicp.ac.cn (Tian-Shu Chu)

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@Article{JAMS-6-1, author = {Chen , Jun-Sheng and Zhao , Li and Yang , Yang and Chu , Tian-Shu}, title = {Sulfoxides as response elements for fluorescent chemosensors: Does it work?}, journal = {Journal of Atomic and Molecular Sciences}, year = {2015}, volume = {6}, number = {1}, pages = {1--10}, abstract = {Our density functional theory (DFT)/time-dependent DFT (TDDFT) calculations for the sensing mechanism of a series of sulfoxide basedmetal-responsive fluorescent chemosensors, suggested that the intramolecular charge transfer (ICT) is not a reasonable mechanism for these chemosensors. The calculated electronic transition energies, the corresponding oscillator strengths of these chemosensors and the involving frontier molecular orbital analysis indicated that there is no obviously ICT state with a transition oscillator strength approaching to zero. The fluorescence quenching of these chemosensors cannot be explained by ICT process. The ground state optimized structures of chemosensors and their complexes indicated that there might be twisted excited configuration for these chemosensors and the twisted excited state configuration may response for the fluorescence quenching. The configuration change can be blocked in the Zn complex that is responsible for these complexes showing fluorescence emission enhancement. In order to understand the function of the sulfoxides group in these metal-responsive fluorescent chemosensors, excited state configuration optimization as well as the excited state hydrogen bond effect on the fluorescence enhancement in the aqueous solvent will be conducted.}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.120214.013115a}, url = {http://global-sci.org/intro/article_detail/jams/8175.html} }
TY - JOUR T1 - Sulfoxides as response elements for fluorescent chemosensors: Does it work? AU - Chen , Jun-Sheng AU - Zhao , Li AU - Yang , Yang AU - Chu , Tian-Shu JO - Journal of Atomic and Molecular Sciences VL - 1 SP - 1 EP - 10 PY - 2015 DA - 2015/06 SN - 6 DO - http://doi.org/10.4208/jams.120214.013115a UR - https://global-sci.org/intro/article_detail/jams/8175.html KW - Fluorescent probes KW - Sensing mechanism KW - Density functional calculations KW - Intramolecular charge transfer (ICT) KW - sulfoxide moiety AB - Our density functional theory (DFT)/time-dependent DFT (TDDFT) calculations for the sensing mechanism of a series of sulfoxide basedmetal-responsive fluorescent chemosensors, suggested that the intramolecular charge transfer (ICT) is not a reasonable mechanism for these chemosensors. The calculated electronic transition energies, the corresponding oscillator strengths of these chemosensors and the involving frontier molecular orbital analysis indicated that there is no obviously ICT state with a transition oscillator strength approaching to zero. The fluorescence quenching of these chemosensors cannot be explained by ICT process. The ground state optimized structures of chemosensors and their complexes indicated that there might be twisted excited configuration for these chemosensors and the twisted excited state configuration may response for the fluorescence quenching. The configuration change can be blocked in the Zn complex that is responsible for these complexes showing fluorescence emission enhancement. In order to understand the function of the sulfoxides group in these metal-responsive fluorescent chemosensors, excited state configuration optimization as well as the excited state hydrogen bond effect on the fluorescence enhancement in the aqueous solvent will be conducted.
Jun-Sheng Chen , Li Zhao, Yang Yang & Tian-Shu Chu . (2019). Sulfoxides as response elements for fluorescent chemosensors: Does it work?. Journal of Atomic and Molecular Sciences. 6 (1). 1-10. doi:10.4208/jams.120214.013115a
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