Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy

Shih Hao Chen*, Li Kung Chu, Yu Ju Chen, I. Chia Chen, Yuan-Pern Lee

*Corresponding author for this work

Research output: Contribution to journalArticle

30 Scopus citations

Abstract

ClCO was produced as a reaction intermediate after irradiation of a flowing mixture of Cl2/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 0.13cm-1 partially reveals rotational structure with the Q-branch peaked at 1884.59cm-1; the transition is associated with the C-O stretching (ν1) mode of ClCO. Calculations with density-functional theory (B3LYP/aug-cc-pVTZ) predict the geometry, vibrational and rotational parameters of 35ClCO and 37ClCO. A simulated absorption spectrum based on these parameters agrees satisfactorily with experimental observation.

Original languageEnglish
Pages (from-to)365-370
Number of pages6
JournalChemical Physics Letters
Volume333
Issue number5
DOIs
StatePublished - 19 Jan 2001

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