从旋转分辨光谱观察二氧化碳在氩气中第一溶剂化层的完成
Observing the completion of the first solvation shell of carbon dioxide in argon from rotationally resolved spectra
摘要：
对中等大小（5-50个分子）的弱结合分子团簇的广泛兴趣是由其复杂的能量景观激发的，这导致数百或数千个不同的异构体。但大多数研究都是理论性的，并没有实验结果提供明确的结构信息完成的第一个溶剂化壳。在这里，我们分配旋转分辨的中红外光谱氩团簇含有一个单一的二氧化碳分子，CO2-Ar 15和CO2-Ar 17。这标志着第一个二氧化碳在氩气中的溶剂化壳层的完成。确认的分配核自旋强度交替的光谱，这些集群的高度对称结构的标志。精确的值被确定为旋转参数，和由氩原子引起的CO2振动频率的移位。光谱表明这些团簇中可能存在低频（~2 cm-1）振动模式，这对未来的团簇理论提出了挑战。
英文摘要：
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.
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