Cationic double K-hole pre-edge states of CS(2) and SF(6).

Cationic double K-hole pre-edge states of CS(2) and SF(6).
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DOI:
10.1038/s41598-017-13607-6
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发表时间:
2017-10-17
期刊:
影响因子:
4.6
通讯作者:
Simon M
Simon M
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Feifel R;Eland JHD;Carniato S;Selles P;Püttner R;Koulentianos D;Marchenko T;Journel L;Guillemin R;Goldsztejn G;Travnikova O;Ismail I;Miranda BC;Lago AF;Céolin D;Lablanquie P;Penent F;Piancastelli MN;Simon M

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X射线仪器的最新进展使得测量与双内壳层空位相关的一类基本上未被探索的电子态的光谱成为可能。利用单电子能谱技术,获得了K壳层双空穴、单电子激发到正常未占轨道的CS_2和SF_6的态谱。的光谱解释的援助下,一个高层次的理论模型与实验非常吻合。结果揭示了新的光之间的重要区别直接和共轭震荡在分子上下文中。特别是,系统的相似性和差异性的前边缘状态附近的单芯孔的X射线吸收光谱研究和相应的状态附近的双芯孔的研究。
Recent advances in X-ray instrumentation have made it possible to measure the spectra of an essentially unexplored class of electronic states associated with double inner-shell vacancies. Using the technique of single electron spectroscopy, spectra of states in CS2 and SF6 with a double hole in the K-shell and one electron exited to a normally unoccupied orbital have been obtained. The spectra are interpreted with the aid of a high-level theoretical model giving excellent agreement with the experiment. The results shed new light on the important distinction between direct and conjugate shake-up in a molecular context. In particular, systematic similarities and differences between pre-edge states near single core holes investigated in X-ray absorption spectra and the corresponding states near double core holes studied here are brought out.
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