Experimental and Theoretical Investigation of Molecular Field Effects by Polarization-resolved Resonant Inelastic X-ray Scattering
Experimental and Theoretical Investigation of Molecular Field Effects by Polarization-resolved Resonant Inelastic X-ray Scattering
复制标题
偏振分辨共振非弹性 X 射线散射分子场效应的实验和理论研究
DOI：
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发表时间：
2009
期刊：
影响因子：
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通讯作者：
M. Simon
中科院分区：
文献类型：
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作者：
S. Carniato;R. Guillemin;W. Stolte;L. Journel;R. Taïeb;D. Lindle;M. Simon
本文从理论和实验两方面研究了分子场对分子核能级的影响。实验上观察到了与偏振相关的共振非弹性X射线散射。 ext{CF}}_{3} 萃取{Cl}$和HCl。我们解释的线性二色性观察到的自旋轨道水平的强度，由于分子场效应，包括单重态-三重态交换，并解释这种行为的人口差异$2{p}_{x，y，z}$内壳层轨道。我们从理论上研究了不同的因素，可以影响电子布居和动态$R$的自旋轨道比的依赖性。最后，用所得结果解释了这两种分子的L壳层吸收光谱.
We present a combined theoretical and experimental study of molecular field effects on molecular core levels. Polarization-dependent resonant inelastic x-ray scattering is observed experimentally after resonant $K$-shell excitation of ${ ext{CF}}_{3} ext{Cl}$ and HCl. We explain the linear dichroism observed in spin-orbit level intensities as due to molecular field effects, including singlet-triplet exchange, and interpret this behavior in terms of population differences in the $2{p}_{x,y,z}$ inner-shell orbitals. We investigate theoretically the different factors that can affect the electronic populations and the dynamical $R$ dependence of the spin-orbit ratio. Finally, the results obtained are used to interpret the $L$-shell absorption spectra of the two molecules.