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

机译:时间分辨傅立叶变换红外吸收光谱法检测CISO

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摘要

ClSO was produced as an intermediate upon irradiating a flowing mixture of Cl_2SO and Ar with a KrF excimer laser at 248 nm.A step-scan Fourier-transform infrared spectrometer coupled with a small multiass absorption cell was employed to detect time-resolved absorption spectrum of ClSO.A transient spectrum in the region 1120-1200 cm~(-1),which diminished on prolonged reaction,is assigned to the S-O stretching (v_1) mode of ClSO.A spectrum with a resolution of 0.3 cm~(-1) partially reveals rotational structure with the Q-branch at 1162.9 cm~(-1).Calculations with density-functional theory (B3LYP/aug-cc-pVTZ) predict the geometry,vibrational,and rotational parameters of ClSO.An IR absorption spectrum of ClSO produced from phortolysis of Cl_2SO at 248 nm is internally hot.
机译:用248nm的KrF准分子激光照射流动的Cl_2SO和Ar的混合物,生成ClSO作为中间产物。采用步进扫描傅立叶变换红外光谱仪和小型多组分吸收池进行检测。 ClSO。在1120-1200 cm〜(-1)范围内的瞬态光谱由于长时间反应而减弱,被分配给ClSO的SO拉伸(v_1)模式,分辨率为0.3 cm〜(-1) Q分支在1162.9 cm〜(-1)处部分地揭示了旋转结构。用密度泛函理论(B3LYP / aug-cc-pVTZ)进行的计算预测了ClSO的几何形状,振动和旋转参数。由Cl_2SO在248 nm的光解产生的ClSO内部较热。

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