Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 78, 2017, Issue in Progress
Previous Article Next Article

A theoretical investigation of the two-photon absorption and fluorescent properties of coumarin-based derivatives for Pd2+ detection

Author affiliations

Abstract

Palladium is emitted due to automobile catalytic converters, and with rapid growth in the number of cars, palladium is thus a current threat to human health and the environment. Two-photon (TP) fluorescent probes are favorable and powerful molecular tools for palladium ion (Pd2+) detection due to localized excitation and reduced phototoxicity and photodamage. In the present study, a series of “turn-on” TP fluorescent dyes based on coumarin derivatives were designed for Pd2+ recognition. Our study revealed the origin of the peculiarly different fluorescence behaviors of the synthesized Pd2+ probe R1 and the product P′1 quantitatively and qualitatively from a theoretical perspective. Moreover, quantum-chemical calculations on electronic structures, one/two-photon absorption and fluorescence optical properties have first been carried out for these TP fluorescent chromophores using an ab initio approach. The calculated results demonstrate that chemical modifications of the coumarin core by the introduction of an electron-withdrawing group (–Cl or –CN) to its 4-position effectively increase the TP absorption cross-section per molecular weight more easily than extending the π-conjugated structure at the 3-position. In the present work, the product P′4, with a much smaller internal conversion rate (KIC = 1.28 × 106 s−1) than that of the Pd2+ probe R4 (KIC = 9.09 × 1011 s−1), possesses the largest TP absorption cross-section per molecular weight (3.91) and the longest fluorescence wavelength (590.3 nm) among all the studied molecules, which means it has better potential for Pd2+ detection. Consequently, we hope that this detailed study can provide guidance for the design and synthesis of new Pd2+ fluorescent probes.

Graphical abstract: A theoretical investigation of the two-photon absorption and fluorescent properties of coumarin-based derivatives for Pd2+ detection

Back to tab navigation

Supplementary files

Publication details

The article was received on 10 Aug 2017, accepted on 05 Oct 2017 and first published on 24 Oct 2017


Article type: Paper
DOI: 10.1039/C7RA08832A
Citation: RSC Adv., 2017,7, 49505-49517
  • Open access: Creative Commons BY-NC license
  •   Request permissions

    A theoretical investigation of the two-photon absorption and fluorescent properties of coumarin-based derivatives for Pd2+ detection

    C. Zhang, J. Guo, A. Ren and D. Wang, RSC Adv., 2017, 7, 49505
    DOI: 10.1039/C7RA08832A

    This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements