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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Dynamics of p-nitroaniline molecules in micoporous aluminophosphate AIPO(4)-5 studied by solid-state NMR
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Dynamics of p-nitroaniline molecules in micoporous aluminophosphate AIPO(4)-5 studied by solid-state NMR

机译：固态NMR研究微孔磷酸铝AIPO（4）-5中对硝基苯胺分子的动力学

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摘要

Dynamics of deuterated p-nitroaniline (pNA-d) molecules in the micropores of AIPO(4)-5 has been investigated by means of solid-state NMR. The adsorbed amounts of pNA-d were 5.0 and 10.1 mass % of the total mass. We have measured C-13 magic-angle-spinning (MAS) and H-2 NMR spectra of the guest molecules and IT and (27)AI MAS NMR spectra of the host framework. The pNA-d molecules distribute rather inhomogeneously in the channel, and do not coordinate to A1 strongly like H2O. The intermolecular hydrogen bonds are formed, level is high. The H NMR spectra are successfully between a part of the guest molecules only when the loading H-2 NMR spectra are successfully analyzed, elucidating the orientation and the motion of the guest molecules. The molecular axis of pNA-d is inclined to the channel axis, and the molecular plane is perpendicular to the inner wall. The guest molecule jumps among 12 sites or 12 orientations. This motion is faster in the sample of 5.0 mass % than in the sample of 10.1 mass %, suggesting that the guest-guest interaction hinders the motion. The mean residence times of the molecules are estimated from the analysis of the H-2 NMR spectra, which are affected by the size of the nanospace as well as the property of the adsorbed site.
机译：已通过固态NMR研究了AIPO（4）-5微孔中氘化对硝基苯胺（pNA-d）分子的动力学。 pNA-d的吸附量为总质量的5.0质量％和10.1质量％。我们已经测量了客体分子的C-13魔角旋转（MAS）和H-2 NMR光谱以及主体框架的IT和（27）AI MAS NMR光谱。 pNA-d分子在通道中分布不均匀，并且不像H2O那样强烈地与A1配位。形成分子间氢键，水平高。只有成功分析了加载的H-2 NMR光谱，才能阐明一部分客体分子的方向和运动，才能成功地在部分客体分子之间获得1 H NMR谱图。 pNA-d的分子轴相对于通道轴倾斜，分子平面垂直于内壁。客体分子在12个位点或12个方向之间跳跃。该运动在5.0质量％的样品中比在10.1质量％的样品中快，表明来宾-客体相互作用阻碍了该运动。分子的平均停留时间是通过对H-2 NMR光谱的分析来估计的，该时间受纳米空间的大小以及吸附位点性质的影响。

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