Iodine K- and L-edge X-ray absorption spectra of HI: The effect of molecular orbitals and core subshells

IF 2.8 3区 物理与天体物理 Q3 CHEMISTRY, PHYSICAL Radiation Physics and Chemistry Pub Date : 2025-01-02 DOI:10.1016/j.radphyschem.2025.112509
R. Hauko, J. Padežnik Gomilšek, A. Kodre, I. Arčon, U. Luin
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Abstract

Analysis of the recently measured absorption spectra of molecular HI at K and L edges of iodine, in parallel with previously measured spectra of noble gas Xe and the K edge spectrum of atomic I, is presented. A strong dependence of some valence multielectron photoexcitation features on the orbital momentum of the core vacancy is found, attributed to the change of the symmetry of the HI molecule: the shake-up coexcitation of a valence electron to a free molecular orbital is much stronger at L3 than L1 edge. The effect of angular momentum of the core hole on the shake processes of deeper multielectron photoexcitations is found negligible. Both HI and Xe exhibit a much weaker one-electron transition [1s]6p than monatomic I. At the K edge, the strength of coexcitations of 4d, 4p and 3d subshells in atomic I is close to the HI and Xe. The same is found for HI and Xe at the L edges, due to a weak contribution of the additional free molecular orbital in HI.
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HI的碘K边和l边x射线吸收光谱:分子轨道和核心亚壳层的影响
本文分析了最近测量的碘分子HI在K和L边的吸收光谱,并与以前测量的惰性气体Xe和原子I的K边光谱进行了平行分析。由于HI分子对称性的改变,发现一些价多电子光激发特性对核心空位的轨道动量有很强的依赖性:价电子对自由分子轨道的振荡共激发在L3边缘比L1边缘强得多。核心空穴的角动量对深层多电子光激发振动过程的影响可以忽略不计。HI和Xe都表现出比单原子I弱得多的单电子跃迁[1s]6p。在K边,原子I的4d、4p和3d亚壳层的共激发强度接近HI和Xe。在HI和Xe的L边也发现了同样的情况,这是由于HI中附加的自由分子轨道的微弱贡献。
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来源期刊
Radiation Physics and Chemistry
Radiation Physics and Chemistry 化学-核科学技术
CiteScore
5.60
自引率
17.20%
发文量
574
审稿时长
12 weeks
期刊介绍: Radiation Physics and Chemistry is a multidisciplinary journal that provides a medium for publication of substantial and original papers, reviews, and short communications which focus on research and developments involving ionizing radiation in radiation physics, radiation chemistry and radiation processing. The journal aims to publish papers with significance to an international audience, containing substantial novelty and scientific impact. The Editors reserve the rights to reject, with or without external review, papers that do not meet these criteria. This could include papers that are very similar to previous publications, only with changed target substrates, employed materials, analyzed sites and experimental methods, report results without presenting new insights and/or hypothesis testing, or do not focus on the radiation effects.
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