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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Dynamics of p-nitroaniline molecules in siliceous ZSM-5 studied by solid-state NMR
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Dynamics of p-nitroaniline molecules in siliceous ZSM-5 studied by solid-state NMR

机译：固态NMR研究硅质ZSM-5中对硝基苯胺分子的动力学

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摘要

Sites and dynamics of p-nitroaniline (pNA) molecules in the micropores of siliceous ZSM-5 zeolite have been investigated by means of solid-state NMR. The adsorbed amounts of pNA studied were about 1.5, 4 and 6 molecules per unit cell of ZSM-5. H-2 NMR and C-13 NMR revealed that the motion of pNA was a 180degrees flip-flop around the C-2 axis of the molecule when the adsorbed amount was less than four molecules per unit cell. The rate of the motion was about 50 kHz at 297 K, and the apparent activation energy was 57 +/- 17 kJ mol(-1). C-13 NMR confirmed the presence of different adsorbed states of pNA when the adsorbed amount was more than four molecules. Furthermore, H-2 NMR revealed that the flip-flop motion of pNA was largely suppressed. These results indicate that the motion of pNA in the micropores of ZSM-5 depended on the adsorbed amount of pNA, and that the interaction between the guest molecules influenced the dynamics of the guest molecules. [References: 42]
机译：通过固态NMR研究了硅质ZSM-5沸石微孔中对硝基苯胺（pNA）分子的位点和动力学。 ZSM-5的每单位细胞吸附的pNA的吸附量约为1.5、4和6个分子。 H-2 NMR和C-13 NMR表明，当每单位细胞的吸附量少于四个分子时，pNA的运动是绕分子的C-2轴旋转180度。在297 K下运动速率约为50 kHz，表观活化能为57 +/- 17 kJ mol（-1）。当吸附量大于四个分子时，C-13 NMR证实存在pNA的不同吸附态。此外，H-2 NMR显示pNA的触发运动被大大抑制。这些结果表明pNA在ZSM-5的微孔中的运动取决于pNA的吸附量，并且客体分子之间的相互作用影响客体分子的动力学。 [参考：42]

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