用X射线诱导的库仑爆炸成像探测环状碳氢化合物分子的结构
Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
AI总结：
本研究利用X射线诱导库仑爆炸成像技术，区分了三种C7H8碳氢化合物异构体，展示了无需特定标记原子即可解析分子结构的方法。
摘要：
库仑爆炸成像（CEI）是一种强大的实验技术，能够将分子的几何结构映射到由快速多重电离产生的离子分子碎片的动量上。在这里，我们应用由X射线自由电子激光脉冲诱导的CEI，以成像和区分具有化学式C7H8的复杂碳氢化合物异构体：甲苯、环庚三烯和1,6-庚二炔。测得的碎片-离子动量分布显示出三种异构体之间的明显差异，并提供了分子中特定碳和氢位置的特征。与以往工作不同，我们证明了构建有意义的分子参考框架以解释动量空间数据时，不需要严格要求不同的'标记原子'。我们的工作为在纯碳氢化合物中跟踪异构化反应中超快核运动铺平了道路。
英文摘要：
Coulomb explosion imaging (CEI) is a powerful experimental technique that maps a molecule's geometric structure onto the momenta of ionic molecular fragments produced by rapid multiple ionization. Here, we apply CEI induced by pulses from an X-ray free-electron laser in order to image and distinguish complex hydrocarbon isomers with the chemical formula C7H8: toluene, cycloheptatriene, and 1,6-heptadiyne. The measured fragment-ion momentum distributions show discernible differences between the three isomers and provide signatures of specific carbon and hydrogen sites in the molecule. In contrast to previous work, we demonstrate that distinct 'marker atoms' are not strictly required for constructing a meaningful molecular frame of reference for the interpretation of the momentum-space data. Our work paves the way for tracking the ultrafast motion of nuclei during isomerization reactions in pure hydrocarbons.
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