In the talk I will address how theoretical chemistry is crucial to understand even the most controversial aspects of materials call to be the next generation of adsorbants and likely of catalyst. Taking the first generation of metal-organic frameworks as a playground I will show how the relationship between the lattice and the solvent is so relevant to the ultimate properties of the material that several of the observed phenomena, in particular the ability to replace atoms in the lattice, is linked to the dynamic properties of the lattice.

On the role of dynamics in understanding the properties of metal-organic frameworks

251st National Meeting (2016)

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