From double-slit interference to structural information in simple hydrocarbons
From double-slit interference to structural information in simple hydrocarbons
复制标题
DOI：
10.1073/pnas.1306697110
复制
发表时间：
2013-09-17
影响因子：
11.1
通讯作者：
Decleva, Piero
中科院分区：
文献类型：
--
作者：
Kushawaha, Rajesh Kumar;Patanen, Minna;Decleva, Piero
分子中两个等效原子中心的光电子相干发射干涉是著名的杨氏双缝实验的微观类比。通过考虑C2H2， C2H4和C2H6系列简单碳氢化合物的内价壳电离，我们发现双缝干涉是广泛存在的，并且在几何，轨道组成和多体效应方面具有内置的定量信息。在70 ~ 700ev的光子能量范围内进行了理论和实验研究。我们观察到振荡周期对C-C距离有很强的依赖性，这可以用来确定选定的等效原子对之间的键长，精度至少为0.01埃。此外，我们还表明，观测到的振荡直接提供了内价分子轨道的性质和原子组成的信息，并且观测到的比率是难以捉摸的多体效应的定量测量。该技术和分析可以立即扩展到一大类化合物。
Interferences in coherent emission of photoelectrons from two equivalent atomic centers in a molecule are the microscopic analogies of the celebrated Young's double-slit experiment. By considering inner-valence shell ionization in the series of simple hydrocarbons C2H2, C2H4, and C2H6, we show that double-slit interference is widespread and has built-in quantitative information on geometry, orbital composition, and many-body effects. A theoretical and experimental study is presented over the photon energy range of 70-700 eV. A strong dependence of the oscillation period on the C-C distance is observed, which can be used to determine bond lengths between selected pairs of equivalent atoms with an accuracy of at least 0.01 angstrom. Furthermore, we show that the observed oscillations are directly informative of the nature and atomic composition of the inner-valence molecular orbitals and that observed ratios are quantitative measures of elusive many-body effects. The technique and analysis can be immediately extended to a large class of compounds.