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.

Characterization of MOFs. 1. Combined Vibrational and Electronic SpectroscopiesMetal Organic Frameworks as Heterogeneous Catalysts

BONINO, Francesca Carla;LAMBERTI, Carlo;VITILLO, Jenny Grazia;BORDIGA, Silvia
2013

Abstract

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.
RSCMetal Organic Frameworks as Heterogeneous Catalysts
Cambridge: Royal Society of Chemistry.
RSC Catalysis Series
12
76
142
9781849735728
http://pubs.rsc.org/en/content/chapter/bk9781849735728-00076/978-1-84973-572-8#!divabstract
MOF; metallorganic framework; COORDINATION POLYMERS; porous materials; FTIR spectroscopy; Raman spectroscopy; XPS; XANES; Inelastic neutron scattering; solvent removal; MOF functionalization
Francesca Bonino; Carlo Lamberti; Sachin Chavan; Jenny G. Vitillo; Silvia Bordiga
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2318/141459
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