This chapter provides an organic description of the basic theoretical background needed to understand the physical phenomena that are behind vibrational and electronic excitation of materials. Selected examples are then provided to underline the relevance of such spectroscopies in understanding porous MOF materials. As IR and UV‐Vis are the most widespread instruments for vibrational and electronic spectroscopies, respectively, most of the examples refer to these two techniques. Other laboratory techniques such as Raman, resonant Raman and XPS are also considered. Synchrotron radiation based techniques, such as X‐ray absorption (only XANES region) and X‐ray emission (XES and resonant‐XES) spectroscopies are reported as excellent techniques for investigating the occupied and non‐occupied electronic states, respectively. Inelastic neutron scattering (INS) is described as an ideal technique to characterize H2 sitting inside MOF cavities. The chapter is organized in sub‐sections that describe how the abovementioned techniques, performed in controlled atmosphere, can be applied to follow: (i) solvent removal; (ii) presence of local defects; (iii) adsorption properties towards probe molecules; (iv) reactivity in respect to simple species. The role of computational techniques in both rational design of new materials and interpretation of experimental results is testified by some relevant examples. The ensemble of the examples hopes for a wider use of porous MOFs in catalysis.

Sorption G 6000Liquid Hydrogen in Protonic Chabazite. -Hydrogen adsorption in a series of zeolites is characterized by volumetric techniques and IR spectroscopy at 15 K. In H-SSZ-13 zeolite the cooperative role played by high surface area, internal wall topology, and presence of high binding energy sites (protons) allows hydrogen to become densified inside the nanopores at favorable temperature and pressure conditions. The H-SSZ-13 zeolite is a promising material for efficient hydrogen storage. -(ZECCHINA, A.; BORDIGA*, S.; VITILLO, J. G.; RICCHIARDI, G.; LAMBERTI, C.; SPOTO, G.; BJOERGEN, M.; LILLERUD, K. P.; J.

Sorption G 6000Hydrogen Storage in Chabazite Zeolite Frameworks. -As revealed by volumetric H2 uptake measurements and transmission IR experiments of H2 adsorption, proton exchanged chabazitic frameworks represent, among zeolites, the most efficient materials for hydrogen storage. Within the series of the considered materials, H-SSZ-13 exhibits the best behavior in terms of hydrogen uptake. A proper balance between available space (volume accessible to hydrogen), high contact surface, and specific interaction with strong and isolated polarizing centers are the necessary characteristics required to design better materials for molecular H2 storage. -(REGLI, L.; ZECCHINA*, A.; VITILLO, J. G.; COCINA, D.; SPOTO, G.; LAMBERTI, C.; LILLERUD, K. P.; OLSBYE, U.; BORDIGA, S.; Phys.

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