Understanding the structure–property relationship of solids is of utmost relevance for efficient chemical processes and technological applications in industries. This contribution reviews the concept of coupling three well-known characterization techniques (solid-state NMR, FT-IR and computational methods) for the study of solid state materials which possess 2D and 3D architectures and discusses the way it will benefit the scientific communities. It highlights the most fundamental and applied aspects of the proactive combined approach strategies to gather information at a molecular level. The integrated approach involving multiple spectroscopic and computational methods allows achieving an in-depth understanding of the surface, interfacial and confined space processes that are beneficial for the establishment of structure–property relationships. The role of ssNMR/FT-IR spectroscopic properties of probe molecules in monitoring the strength and distribution of catalytic active sites and their accessibility at the porous/layered surface is discussed. Both experimental and theoretical aspects will be considered by reporting relevant examples. This review also identifies and discusses the progress, challenges and future prospects in the field of synthesis and applications of layered and porous solids.

中文翻译：

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结合了固体NMR，FT-IR和对层状和多孔材料的计算研究†

了解固体的结构-性质关系对工业中有效的化学过程和技术应用至关重要。该文稿回顾了结合三种众所周知的表征技术（固态NMR，FT-IR和计算方法）的概念，以研究具有2D和3D结构的固态材料，并讨论了它将使科学界受益的方式。它重点介绍了在分子水平上收集信息的主动组合方法策略的最基本和最实用的方面。涉及多种光谱和计算方法的集成方法可以深入了解地表，界面和密闭空间过程，这对于建立结构-性质关系非常有利。讨论了探针分子的ssNMR / FT-IR光谱性质在监测催化活性位点的强度和分布及其在多孔/层状表面的可及性方面的作用。通过报告相关示例，将同时考虑实验和理论方面。这篇综述还确定并讨论了层状和多孔固体的合成和应用领域的进展，挑战和未来前景。