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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Isotope Effects in the Resonant Inelastic Soft X-ray Scattering Maps of Gas-Phase Methanol
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Isotope Effects in the Resonant Inelastic Soft X-ray Scattering Maps of Gas-Phase Methanol

机译：气相甲醇在共振非弹性软X射线散射图中的同位素效应

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摘要

The electronic structure of gas-phase methanol molecules (H3COH, H3COD, and D3COD) at atmospheric pressure was investigated using resonant inelastic soft X-ray scattering (RIXS) at the O K and C K edges. We observe strong changes of the relative emission intensities of all valence orbitals as a function of excitation energy, which can be related to the symmetries of the involved orbitals causing an angularly anisotropic RIXS intensity. Furthermore, all observed emission lines are subject to strong spectator shifts of up to -0.9 eV at the O K edge and up to -0.3 eV at the C K edge. At the lowest O K resonance, we find clear evidence for dissociation of the methanol molecule on the time scale of the RIXS process, which is illustrated by comparing X-ray emission spectra of regular and deuterated methanol.
机译：使用O K和C K边缘的共振非弹性软X射线散射（RIXS）研究了常压下气相甲醇分子（H3COH，H3COD和D3COD）的电子结构。我们观察到所有价态轨道的相对发射强度随激发能量的变化而发生强烈变化，这可能与引起角度各向异性RIXS强度的所涉及轨道的对称性有关。此外，所有观察到的发射线在O K边缘处经受高达-0.9 eV的强烈旁观者偏移，而在C K边缘处经受高达-0.3 eV的强烈旁观者偏移。在最低的O K共振下，我们找到了RIXS过程时间尺度上甲醇分子解离的明确证据，这可以通过比较常规甲醇和氘代甲醇的X射线发射光谱来说明。

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