Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks

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Abstract

A study is conducted to demonstrate quantum-chemical characterization of the properties and reactivities of metal-organic frameworks (MOF). MOFs exhibit important properties from a technology standpoint, as they are thermally stable, crystalline, and characterized by high porosities and possess record-breaking surface areas. These properties make them good candidates as gas adsorbents. The chemical functional groups found in their pores, along with the shapes and sizes of those pores can be tuned in a controlled fashion. The MOFs' porosities are systematically tuned by increasing the sizes of the organic carboxylate linkers.

Original languageEnglish (US)
Pages (from-to)6051-6111
Number of pages61
JournalChemical Reviews
Volume115
Issue number12
DOIs
StatePublished - Jan 1 2015

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