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Methyl Rotational Tunneling Dynamics of p-xylene Confined in a Crystalline Zeolite Host

机译:限制在结晶沸石基质中的对二甲苯的甲基旋转隧穿动力学

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We present an application of rotational tunneling spectroscopy to quantitatively probe interactions in a host-guest system. In particular, the methyl rotational tunneling spectrum of p-xylene confined in nanoporous zeolite crystals has been measured by high resolution inelastic neutron scattering. We interpret the tunneling spectra as a combination of transitions involving two coupled methyl rotors as well as a transition involving one of the two remaining independent rotors, in a manner consistent with the observed spectral energies and intensities. The extracted framework-methyl and methyl-methyl potential energy parameters are presented and discussed.
机译:我们提出了一种旋转隧道光谱技术,以定量探测宿主-客体系统中的相互作用的应用。特别地,已经通过高分辨率非弹性中子散射测量了限制在纳米多孔沸石晶体中的对二甲苯的甲基旋转隧道光谱。我们以与观察到的光谱能量和强度一致的方式将隧道光谱解释为涉及两个耦合的甲基转子的跃迁以及涉及两个其余独立转子之一的跃迁的组合。介绍并讨论了提取的骨架甲基和甲基甲基势能参数。

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