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Rotational tunneling of ammonia in (NH_3)K_3C_(60)

机译:(NH_3)K_3C_(60)中氨的旋转隧穿

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The rotational dynamics of NH_3 in the ammoniated fulleride (NH_3)K_3C_(60) are studied by the inelastic neutron scattering technique. Well-defined excitations appear in the low-energy spectra at 1.5 K as a broad band centered at approx 350 #mu#eV with shoulders at approx 240 and 590 #mu#eV. The temperature dependence of their intensities, energies, and widths is consistent with their assignment to rotational tunneling transitions of the NH_3 molecule. The estimated barrier of the threefold hindrance potential to rotation of the H atoms about the K-N axis is approx 5.7 meV. The existence of minority hindering sites with both larger (approx 8 meV) and smaller (approx 2 meV) torsional barriers shows that orientational disorder effects survive in (NH_3)K_3C_(60) even at low temperatures.
机译:通过非弹性中子散射技术研究了氨化富勒酸盐(NH_3)K_3C_(60)中NH_3的旋转动力学。清晰定义的激发出现在1.5 K的低能谱中,是一个以约350#mu#eV为中心的宽带,肩部约为240和590#mu#eV。它们的强度,能量和宽度与温度的关系与其对NH_3分子的旋转隧穿跃迁的分配一致。 H原子围绕K-N轴旋转的三重势垒的估计势垒约为5.7 meV。具有较大(大约8 meV)和较小(大约2 meV)扭转势垒的少数阻碍位点的存在表明,定向障碍效应即使在低温下也能在(NH_3)K_3C_(60)中存活。

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