Calculation and Experimental Research on Infrared Spectrum of Dioxin Molecule

Zhai Yunchu; Wang Fei; Chi Yong; Yan Jianhua

doi:10.3788/lop55.083001

[1] Liu H X, Zhou Q F, Wang Y W, et al. E-waste recycling induced polybrominated diphenyl ethers, polychlorinated biphenyls, polychlorinated dibenzo-p-dioxins and dibenzo-furans pollution in the ambient environment［J］. Environment International, 2008, 34(1): 67-72.

[2] Wurrey C J, Fairless B J, Kimball H E. Gas chromatographic/matrix isolation/Fourier transform infrared spectra of the laterally chlorinated dibenzo-p-dioxins and dibenzofurans［J］. Applied Spectroscopy, 1989, 43(8): 1317-1324.

[3] Mhin B J, Choi J, Choi W. A simple rule for classification of polychlorinated dibenzo-p-dioxin congeners on the basis of IR frequency patterns［J］. Journal of the American Chemical Society, 2001, 123(15): 3584-3587.

[4] de Cumis M S, D′Amato F, Viciani S, et al. First quantitative measurements by IR spectroscopy of dioxins and furans by means of broadly tunable quantum cascade lasers［J］. Laser Physics, 2013, 23(2): 025603.

[5] Fabrellas B, Sanz P, Abad E, et al. Analysis of dioxins and furans in environmental samples by GC-ion-trap MS/MS［J］. Chemosphere, 2004, 55(11): 1469-1475.

[6] Zhang L F, Wang F, Yu L B, et al. On-line measuring concentration of CH4 during coal particle pyrolysis based on absorption spectroscopy technology［J］. Laser & Optoelectronics Progress, 2017, 54(8): 083001.

[7] Gao Y W, Zhang Y J, Chen D, et al. Measurement of oxygen concentration using tunable diode laser absorption spectroscopy［J］. Acta Optica Sinica, 2016, 36(3): 0330001.

[8] Yao L, Liu W Q, Liu J G, et al. Research on open-path detection for atmospheric trace gas CO based on TDLAS［J］. Chinese Journal of Lasers, 2015, 42(2): 0215003.

[9] Patrizi B, de Cumis M S, Viciani S, et al. Characteristic vibrational frequencies of toxic polychlorinated dibenzo-dioxins and -furans［J］. Journal of Hazardous Materials, 2014, 274: 98-105.

[10] Becke A D. Density-functional thermochemistry. III. The role of exact exchange［J］. The Journal of Chemical Physics, 1993, 98（7）: 5648-5652.

[11] Liu G S, Yu J G. Theoretical study on the structure, vibrational frequency and thermodynamic properties of 2, 3, 7, 8-tetrachlorinated dibenzo-p-dioxin［J］. Journal of Molecular Structure: THEOCHEM, 2005, 717(1/2/3): 15-19.

[12] Ebert V, Fernholz T, Giesemann C, et al. Simultaneous diode-laser-based in situ detection of multiple species and temperature in a gas-fired power plant［J］. Proceedings of the Combustion Institute, 2000, 28(1): 423-430.