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    National Tsing Hua University Institutional Repository > 理學院 > 化學系 > 期刊論文 >  Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy

    Please use this identifier to cite or link to this item: http://nthur.lib.nthu.edu.tw/dspace/handle/987654321/57051

    Title: Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy
    Authors: Chen, SH;Chu, LK;Chen, YJ;Chen, IC;Lee, YP
    教師: 陳益佳
    Date: 2001
    Publisher: Elsevier
    Relation: CHEMICAL PHYSICS LETTERS, Elsevier, Volume 333, Issue 5, JAN 19 2001, Pages 365-370
    Keywords: KINETICS
    Abstract: ClCO was produced as a reaction intermediate after irradiation of a flowing mixture of Cl-2/CO/Ar at 355 nm. A step-scan time-resolved Fourier-transform infrared spectrometer operated in absorption mode was employed to detect ClCO. A transient spectrum at a resolution of 0.13 cm(-1) partially reveals rotational structure with the Q-branch peaked at 1884.59 cm(-1); the transition is associated with the C-O stretching (nu (l)) mode of ClCO. Calculations with densityfunctional theory (B3LYP/aug-cc-pVTZ) predict the geometry, vibrational and rotational parameters of (ClCO)-Cl-35 and (ClCO)-Cl-37. A simulated absorption spectrum based on these parameters agrees satisfactorily with experimental observation.
    URI: http://www.elsevier.com/
    Appears in Collections:[化學系] 期刊論文

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