The rotational and translational dynamics of molecular hydrogen trapped within $\beta$-hydroquinone clathrate (${\mathrm{H}}_2@\beta$-HQ)—a practical example of a quantum particle trapped within an anisotropic confining potential—were investigated using inelastic neutron scattering and Raman spectroscopy. High-resolution vibrational spectra, including those collected from the VISION spectrometer at Oak Ridge National Laboratory, indicate relatively strong attractive interaction between guest and host with a strikingly large splitting of rotational energy levels compared with similar guest-host systems. Unlike related molecular systems in which confined ${\mathrm{H}}_2$ exhibits nearly free rotation, the behavior of ${\mathrm{H}}_2@\beta$-HQ is explained using a two-dimensional (2D) hindered rotor model with barrier height more than 2 times the rotational constant ($-16.2\mathrm{meV}$).

中文翻译：

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有机笼形笼中捕获的H2的量子动力学

被困在其中的分子氢的旋转和平移动力学 $\beta$-氢醌包合物（${\mathrm{H}}_{\mathrm{2个}}@\beta$-HQ）-被捕获在各向异性约束势中的量子粒子的一个实际示例-使用非弹性中子散射和拉曼光谱法进行了研究。高分辨率的振动光谱，包括从橡树岭国家实验室的VISION光谱仪收集的振动光谱，表明与相似的宾主系统相比，宾主之间具有较强的有吸引力的相互作用，并且旋转能级的差异非常大。不同于相关的分子系统，其中${\mathrm{H}}_{\mathrm{2个}}$ 表现出几乎自由旋转的行为 ${\mathrm{H}}_{\mathrm{2个}}@\beta$-HQ使用二维（2D）受阻转子模型进行解释，其势垒高度大于旋转常数的2倍（$-16.2\mathrm{病毒}$）。