K. V. Ezdakova (Voronina), A. V. Rudakova, I. V. Krauklis, Ya. V. Shergin, A. A. Tsyganenko
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引用次数: 0
摘要
摘要 通过对吸附的 CO 进行低温红外光谱分析,研究了酸性气体 CO2、SO2 和 SO3 的吸附对氧化钙表面阳离子电子接受能力的影响。结果表明,表层中碳酸盐、亚硫酸盐和硫酸盐阴离子的形成会导致路易斯酸位点的出现,根据与之相关的 CO 分子振动频率的移动来估算,路易斯酸位点的强度会按适当的顺序增加,接近含钙沸石的路易斯酸位点。用 DFT 方法计算簇模型的结果证实了观察到的通过碳原子和氧原子结合的 CO 分子的振动频率和吸收系数的变化趋势,还证明了阳离子的 CO 链接异构能力取决于其局部环境。
The Influence of the Local Environment on the Electron Accepting Ability of the Cation: Induced Lewis Acidity
Abstract
The effect of adsorption of acid gases CO2, SO2, and SO3 on the electron accepting ability of cations on the surface of calcium oxide was studied by low-temperature IR spectroscopy of adsorbed CO. It is shown that the formation of carbonate, sulfite and sulfate anions in the surface layer leads to the appearance of Lewis acid sites, the strength of which, estimated by the shift in the vibration frequency of CO molecules associated with them, increases in the appropriate order, approaching that for calcium-containing zeolites. The results of the calculation of cluster models by the DFT method confirm the observed trends in the variation of the vibrational frequency and the absorption coefficient of CO molecules bound through both the carbon and oxygen atoms, and also demonstrate the dependence of the ability of a cation for CO linkage isomerism on its local environment.
期刊介绍:
Optics and Spectroscopy (Optika i spektroskopiya), founded in 1956, presents original and review papers in various fields of modern optics and spectroscopy in the entire wavelength range from radio waves to X-rays. Topics covered include problems of theoretical and experimental spectroscopy of atoms, molecules, and condensed state, lasers and the interaction of laser radiation with matter, physical and geometrical optics, holography, and physical principles of optical instrument making.