Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H2@C60 and HD@C60
Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H2@C60 and HD@C60
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DOI：
10.1103/physrevb.82.081410
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发表时间：
2010-08-20
影响因子：
3.7
通讯作者：
Turro, N. J.
中科院分区：
文献类型：
--
作者：
Horsewill, A. J.;Rols, S.;Turro, N. J.
我们报道了一个非弹性中子散射（INS）的调查耦合量子平移和旋转的氢分子被困在封闭的各向同性笼的C-60。在我们对INS峰值能量的研究中，准确地确定了表征氢分子的双旋流形的低位态。的H-2和HD同位素异构体的光谱之间的比较提供了定量的洞察旋转和平移角动量与HD表现出最强的效果，由于混合的旋转本征态之间的耦合。
We report an inelastic neutron-scattering (INS) investigation of coupled quantum translation and rotation of hydrogen molecules trapped inside the closed isotropic cages of C-60. The low-lying states that characterize the translation-rotation manifold of the hydrogen molecules are accurately determined in our study of the INS peak energies. A comparison between the spectra of H-2 and HD isotopomers provides quantitative insight into the coupling between rotational and translational angular momentum with HD exhibiting the strongest effects due to mixing of the rotational eigenstates.