The librational ground state of monodeuterated methane adsorbed on graphite
The librational ground state of monodeuterated methane adsorbed on graphite
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石墨吸附单氘代甲烷的解放基态
DOI：
10.1063/1.469734
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发表时间：
1995
期刊：
影响因子：
--
通讯作者：
D. Sivia
中科院分区：
文献类型：
--
作者：
A. Inaba;J. Skarbek;J. Lu;R. Thomas;C. Carlile;D. Sivia
在4.5K下获得了CH_4、CH_4/CD_4混合物和CH_3D吸附在膨胀石墨上的高分辨非弹性中子散射谱。使用的分辨率比以前使用的分辨率高出约五倍，并在光谱中显示了额外的细节。对于CH 4，它示出的参数，H，有关的双重轴的旋转不完全是零。它有一个意想不到的小正值。对于1：2的CH 4/CD 4混合物的隧道光谱的CH 4表明，该混合物必须在4.5 K的顺序和旋转的障碍的CH 4略有增加时，周围的CH 4分子被取代的较重的CD 4。对于CH 3D的更高的分辨率的光谱使得有可能作出明确的分配的隧道光谱，这是不同于以前提出的。分配表明，有条款的取向潜力高于三倍傅立叶组件先前假设，但这些可能不会影响推导…
High resolution inelastic neutron scattering spectra of CH4, CH4/CD4 mixtures, and CH3D adsorbed on exfoliated graphite at 4.5 K have been obtained. The resolution used was approximately five times higher than previously used and has revealed extra detail in the spectra. For CH4 it is shown that the parameter, H, related to rotation about the twofold axes is not exactly zero. It has an unexpected small positive value. For a 1:2 CH4/CD4 mixture the tunneling spectra of the CH4 show that the mixture must be ordered at 4.5 K and that the barriers to rotation of the CH4 are increased slightly when the surrounding CH4 molecules are replaced by the heavier CD4. For CH3D the higher resolution spectra make it possible to make an unambiguous assignment of the tunneling spectra, which is different from that previously proposed. The assignment indicates that there are terms in the orientational potential higher than the threefold Fourier components previously assumed, but that these probably do not affect the derive...