Department of Chemistry, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, United Kingdom.
J Chem Phys. 2010 Jan 7;132(1):014311. doi: 10.1063/1.3274648.
By combining multiple electron coincidence detection with ionization by synchrotron radiation, we have obtained resolved spectra of the OCS(3+) ion created through the double Auger effect. The form of the spectra depends critically on the identity of the atom bearing the initial hole. High and intermediate level electron structure calculations lead to an assignment of the resolved spectrum from ionization via the S 2p hole. From the analysis it appears that the double Auger effect from closed shell molecules favors formation of doublet states over quartet states. Molecular field effects in the double Auger effect are similar to those in the single Auger effect in linear molecules.
通过将多个电子符合检测与同步辐射的电离相结合，我们获得了通过双俄歇效应产生的 OCS(3+)离子的分辨光谱。光谱的形式取决于带有初始空穴的原子的身份。高和中级电子结构计算导致通过 S 2p 空穴进行电离的分辨光谱的分配。从分析中可以看出，来自满壳分子的双俄歇效应有利于形成双重态而不是四重态。双俄歇效应中的分子场效应与线性分子中单俄歇效应中的分子场效应相似。
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