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

doi:10.1016/S0009-2614(00)01372-5

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

Department of Applied Chemistry

Research output: Contribution to journal › Article › peer-review

33 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 language	English
Pages (from-to)	365-370
Number of pages	6
Journal	Chemical Physics Letters
Volume	333
Issue number	5
DOIs	https://doi.org/10.1016/S0009-2614(00)01372-5
State	Published - 19 Jan 2001

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title = "Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy",

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.",

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T1 - Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy

AU - Chen, Shih Hao

AU - Chu, Li Kung

AU - Chen, Yu Ju

AU - Chen, I. Chia

AU - Lee, Yuan-Pern

PY - 2001/1/19

Y1 - 2001/1/19

N2 - 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.

AB - 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.

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DO - 10.1016/S0009-2614(00)01372-5

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AN - SCOPUS:0000709171

SN - 0009-2614

VL - 333

SP - 365

EP - 370

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5

ER -

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

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