论文标题
观察从旋转分辨光谱中的第一个二氧化碳二氧化碳的溶剂壳完成
Observing the completion of the first solvation shell of carbon dioxide in argon from rotationally resolved spectra
论文作者
论文摘要
对中等大小（5-50个分子）的弱结合的分子簇的广泛兴趣是由它们复杂的能量景观激励的，这会导致数百或数千个不同的异构体。但是大多数研究本质上都是理论上的，并且没有实验结果可提供有关第一个溶剂化壳完成的明确结构信息。在这里，我们将旋转分辨的中红外光谱分配给包含单个二氧化碳分子CO2-AR15和CO2-AR17的氩气簇。这些标记完成了Argon中CO2的第一个溶剂化壳的完成。分配是通过光谱中的核自旋强度交替确认的，光谱是这些簇的高度对称结构的标记。确定旋转参数的精确值，以及由氩原子诱导的二氧化碳振动频率的变化。光谱表明这些簇中可能的低频（〜2 cm-1）振动模式，对未来的群集理论构成了挑战。
Widespread interest in weakly bound molecular clusters of medium size (5-50 molecules) is motivated by their complicated energy landscapes, which lead to hundreds or thousands of distinct isomers. But most studies are theoretical in nature, and there are no experimental results which provide definitive structural information on completion of the first solvation shell. Here we assign rotationally resolved mid-infrared spectra to argon clusters containing a single carbon dioxide molecule, CO2-Ar15 and CO2-Ar17. These mark completion of the first solvation shell for CO2 in argon. The assignments are confirmed by nuclear spin intensity alternation in the spectra, a marker of highly symmetric structures for these clusters. Precise values are determined for rotational parameters, and for shifts of the CO2 vibrational frequency induced by the argon atoms. The spectra indicate possible low frequency (~2 cm-1) vibrational modes in these clusters, posing a challenge for future cluster theory.
