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

被引：32

作者：

Chen, SH ^{[1
]}

Chu, LK ^{[1
]}

Chen, YJ ^{[1
]}

Chen, IC ^{[1
]}

Lee, YP ^{[1
]}

机构：

[1] Natl Tsing Hua Univ, Dept Chem, Hsinchu 30013, Taiwan

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 333卷 / 05期

关键词：

D O I：

10.1016/S0009-2614(00)01372-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：365 / 370

页数：6

共 33 条

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