In the search for efficiently phosphorescent materials, this article presents a rational design and theoretical comparative study of some photophysical properties in the (fpmb)(x)Ir(bptz)(3-x) (x = 1-2), which involve the usage of two 2-pyridyl triazolate (bptz) chromophores and a strong-field ligand fpmb (fpmb = 1-(4-difluorobenzyl)-3-methylbenzimidazolium). The first principle theoretical analysis under the framework of the time-dependent density functional theory approach is implemented in this article to investigate the electronic structures, absorption and phosphorescence spectra. It is intriguing to note that 1 and 2 exhibit theirs blue phosphorescent emissions with maxima at 504 and 516 nm, respectively. Furthermore, to obtain the mechanism of low phosphorescence yield in 1 and estimate the radiative rate constant k(r) for 2, we approximately measure the radiative rate constant k(r), the spin-orbital coupling (SOC) value, ΔE (S - T), and the square of the SOC matrix element (<Ψ(S1·)H(SO·)Ψ(T1)>(2)) for 1 and 2. Finally, we tentatively come to conclusion that the switch of the cyclometalated ligand from the main to ancillary chelate seems to lower the splitting ΔE (S - T) in the current system.
In this invited paper, a novel water chemical oxygen demand (COD) detection method based on laser spectroscopy is proposed, and the COD value is obtained according to the intensity ratio of laser Fluorescence-Raman signal produced by laser incident into water. Based on the laser Fluorescence-Raman ratio (LFRR) method, we design a portable water quality measurement system. In which, a 405 nm semiconductor laser is used as the light source. The laser is coupled into the delivering port of Y-type fiber and then transmitted into water. The generated Mie scattered light, water Raman light and corresponding fluorescence are received and transmitted into spectrometer through the detecting port of Y-type fiber, and the COD value can be obtained by analyzing the LFRR of water spectra. The mixed solution of sodium humate and glucose is used as the COD standard solution to calibrate the designed system. The experiment results show that the optimal volume ratio of the two solutions is 1:29. When the COD of standard solutions is in the 1–12 mg/L concentration range, a good linear relationship can be found between the COD value and LFRR value with a correlation coefficient of 0.974. In addition, the COD of natural water samples are measured with LFRR method, the results of which are consistent with COD values obtained by rapid digestion spectrophotometry. Meanwhile, experimental results prove that the COD detection method proposed in this paper has the advantages of high sensitivity, high precision, high detection speed and simplicity, which can be widely used in various water areas for real-time COD monitoring.
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