Citation: WANG Xin, ZHANG Yu-Jin, WANG Chuan-Kui. Optical Properties and Responsive Mechanism of Carbazole-Based Two-Photon Fluorescent Probes for the Detection of Hypochlorite[J]. Acta Physico-Chimica Sinica, ;2016, 32(12): 2913-2920. doi: 10.3866/PKU.WHXB201609301
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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.
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Keywords:
- Fluorescent probe,
- Two-photon absorption,
- ClO-,
- C=N isomerization
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