室温下检测 (H2)2 二聚体
Room temperature detection of the (H2)2 dimer
AI总结：
本研究首次在室温和亚大气压下利用腔衰荡光谱技术检测到 (H2)2 二聚体部分分辨的转动结构，为其结构提供了定量见解并作为未来理论研究的基准。
摘要：
氢二聚体 (H2)2 是结合最弱的范德华复合物之一，也是第一性原理从头算研究的原型物种。(H2)2 红外吸收光谱的检测在三十多年前已有报道，当时的温度为 20 K。由于 (H2)2 丰度随温度急剧下降，室温下的检测通常被认为极难实现。在此，我们首次报告了在亚大气压下，利用腔衰荡光谱技术在 H2 第一泛频带附近（约 1.2 微米）区域，对 (H2)2 部分分辨的转动结构进行室温检测。对单体约十个允许或禁戒跃迁频率附近观察到的吸收特征进行定量分析，为这一难以捉摸的物种结构提供了深入见解，并为未来的理论研究提供了基准。
英文摘要：
The hydrogen dimer, (H2)2, is among the most weakly bound van der Waals complexes and a prototype species for first principles ab initio studies. The detection of the (H2)2 infrared absorption spectrum was reported more than thirty years ago at a temperature of 20 K. Due to the sharp decrease of the (H2)2 abundance with temperature, a detection at room temperature was generally considered as hardly achievable. Here we report the first room temperature detection of partly resolved rotational structures of (H2)2 by cavity ring down spectroscopy at sub-atmospheric pressures, in the region of the first overtone band of H2 near 1.2 micron. The quantitative analysis of the absorption features observed around ten allowed or forbidden transition frequencies of the monomer provides insight on the structure of this elusive species and a benchmark for future theoretical studies.
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