The translational and orientational dynamics of water in carbon nanotubes has been studied by quasi-elastic neutron scattering from 300 down to 10 K. Results show that, reducing temperature below 200 K, part of this water behaves as a quasi-free rotor, that is, the orientational energy of such molecules becomes comparable to the rotational energy of water in the gas phase. This novel and unique dynamic behavior is related to the appearance of water molecules characterized by a coordination number of about two, which is promoted by sub-nanometer axial confinement. This peculiar molecular arrangement allows water to show an active rotational dynamics even at temperatures as low as 10 K. The translational mobility shows a behavior compatible with the rotational one.

译文

:通过从300到10 K的准弹性中子散射研究了碳纳米管中水的平移和取向动力学,结果表明,将温度降低到200 K以下,该水的一部分表现为准无转子。即,这种分子的取向能变得与水在气相中的旋转能相当。这种新颖而独特的动力学行为与水分子的出现有关,水分子的特征是配位数约为2,这是由亚纳米轴向限制促进的。这种独特的分子排列使水即使在低至10 K的温度下也能显示出主动的旋转动力学,而平移迁移率则表现出与旋转相适应的行为。

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