²H solid-state NMR represents a reliable method for probing the dynamics of the molecules in confined geometries, including microporous and mesoporous materials such as zeolites or metal–organic frameworks (MOFs). Dynamic characteristics derived from analyses of ²H NMR line shape and spin relaxation for adsorbed deuterated molecules can be related with translational motions along the porous framework. This opens up the possibility to use ²H NMR for probing self-diffusion within porous materials. Herein we discuss the basic principles and approaches that can be used to derive the information on diffusion coefficients based on analysis of the dynamics of confined molecules by ²H NMR. We discuss the corresponding possibilities and limitations of ²H NMR compared to other experimental methods, such QENS and PFG NMR. Several examples for estimation of diffusion coefficients by ²H NMR for alkanes, olefins, alcohol, benzene, pyridine in zeolites and MOFs are provided.

² H固态NMR代表了一种探测分子在有限几何结构中动力学的可靠方法，包括微孔和中孔材料，例如沸石或金属有机骨架（MOF）。从² H NMR线形和吸附的氘化分子的自旋弛豫分析得出的动力学特性可能与沿多孔骨架的平移运动有关。这开辟了使用² H NMR探测多孔材料内自扩散的可能性。在此，我们讨论基于² H NMR对受限分子动力学进行分析的基础原理和方法，可用于得出有关扩散系数的信息。我们讨论了相应的可能性和局限性² H NMR与其他实验方法（例如QENS和PFG NMR）相比。提供了通过² H NMR估算烷烃，烯烃，醇，苯，吡啶在沸石和MOF中的扩散系数的几个示例。