摘要
用时间分辨-傅立叶变换红外发射光谱法研究了OH自由基与CO的反应.OH自由基由248nm的激光光解硝酸得到.在实验中首次观测到了产物CO2的非对称伸缩振动（v3）的激发态.对CO2发射光谱的拟合结果显示,其振动态的布居在量子数v=2时最大,而最高振动量子数达到v=6.由实验得到的CO2振动布居与Schatz等人用全量子化计算该反应的中间物HOCO解离动力学得到的CO2布居结果能很好地吻合.
The reaction of OH radical with CO was investigated by time-resolved Fourier transform infrared (TR-FTIR) spectroscopy. OH radical was produced by laser photolysis of HNOs at 248 nm. IR emission from vi-brationally excited unsymmetric stretching mode (v3) of product CO2 was observed for the first time (Fig. 2). The simulated results for the IR emission spectrum of CO2 shows that the CO2 populates up to v =6 and the quantum number v =2 is the most populated vibration level (Fig. 4). Comparison of the experimental distribution results of product CO2 with quantum or QCT calculation by Schatz and co-workers shows that experimental distributions agree well with the quantum predicting but is different from that of the QCT calculation. This consistency suggests that the SFH potential surface (Fig. 1) is accurate and the quantum dynamics method but not QCT is proper approach for the chemical reaction involving H atom leaping.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
2002年第6期486-489,共4页
Acta Physico-Chimica Sinica
基金
国家重点基础研究发展规划(NKBRSF)资助项目
