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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Distribution of Vibrational States of CO2 in the Reaction O(1D) + CO2 from Time-Resolved Fourier Transform Infrared Emission Spectra
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Distribution of Vibrational States of CO2 in the Reaction O(1D) + CO2 from Time-Resolved Fourier Transform Infrared Emission Spectra

机译：时间分辨傅立叶变换红外发射光谱中O（1D）+ CO2反应中CO2振动状态的分布

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摘要

A mixture of O3 and CO2 was irradiated with light from a KrF laser at 248 nm; time-resolved infrared emission of CO2 in the region 2000-2400 cm-1 was observed with a Fourier transform spectrometer. This emission involves one quantum in the asymmetric stretching mode (ν3) of CO2 in highly vibrationally excited states. The band contour agrees satisfactorily with a band shape calculated based on a simplified polyad model of CO2 and a vibrational distribution estimated through a statistical partitioning of energy of ～13 000 cm-1, ～3100 cm-1 smaller than the available energy, into the vibrational modes of CO2. From this model, approximately 44% and 5% of the available energy of O(1D) + CO2 is converted into the vibrational and rotational energy of product CO2, respectively, consistent with previous reports of ～50% for the translational energy. An extent of rotational excitation of CO2 much smaller than that expected from statistical calculations indicates a mechanism that causes a small torque to be given to CO2 when an O atom leaves the complex CO3 on the triplet exit surface of potential energy, consistent with quantum-chemical calculations
机译：用来自KrF激光器的248 nm的光照射O3和CO2的混合物。用傅立叶变换光谱仪观察到在2000-2400 cm-1区域中CO 2的时间分辨的红外发射。这种发射涉及处于高振动激发态的CO2非对称拉伸模式（ν3）中的一个量子。能带轮廓与通过简化的二氧化碳双元模型计算出的能带形状以及通过将小于可用能量的〜13000 cm-1，〜3100 cm-1能量的统计划分估算出的振动分布令人满意地一致。二氧化碳的振动模式。通过该模型，分别将O（1D）+ CO2的可用能量的约44％和5％转换为产物CO2的振动能和旋转能，这与先前报道的转化能的〜50％一致。二氧化碳的旋转激发程度远小于统计计算所预期的程度，这表明一种机制，当O原子在势能的三重态出射表面上离开复杂的二氧化碳时，会给二氧化碳带来较小的扭矩，这与量子化学一致计算

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