Acta Phys. -Chim. Sin. ›› 2016, Vol. 32 ›› Issue (12): 2913-2920.doi: 10.3866/PKU.WHXB201609301

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Optical Properties and Responsive Mechanism of Carbazole-Based Two-Photon Fluorescent Probes for the Detection of Hypochlorite

Xin WANG,Yu-Jin ZHANG,Chuan-Kui WANG*()   

  • Received:2016-06-06 Published:2016-11-30
  • Contact: Chuan-Kui WANG
  • Supported by:
    The project was supported by the National Natural Science Foundation of China(11404193);Natural Science Foundation of Shandong Province,China(ZR2014AM026);and Taishan Scholar Project of Shandong Province, China


The one- and two-photon absorption and emission properties of the two newly synthesized watersoluble two-photon fluorescent probes (HCH and HCM) for the detection of ClO- were investigated using timedependent density functional theory in combination with response theory. Dramatic changes in the photophysical properties of the molecules following reaction with ClO- were predicted. The photoabsorption and photoemission peaks for both compounds were clearly blue shifted, while the emission intensities were enhanced. Both probes were also found to have large two-photon cross sections. Importantly, in the presence of ClO- the two-photon cross section of the molecules increased significantly, which indicated that both HCH and HCM should be good two-photon fluorescent probes for sensing ClO-. The responsive mechanism of the probes was explored by analyzing the molecular Mulliken charge population, which was attributed to C=N isomerization.

Key words: Fluorescent probe, Two-photon absorption, ClO-, C=N isomerization


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