Combined Experimental and Theoretical Investigation of Catalytic Properties of Metal Organic Frameworks

Abstract: A combination of theoretical and experimental investigation of catalytic activity of Metal Organic Frameworks (MOF's) is proposed. Suitable MOF catalysts for particular reactions (alcoxylation, aldol condensation, transesterification, and reactions of amines) will be identified. Experimental part of the study consiss of (i) detail characterization of MOF catalysts (XRD, electron microscopy, adsorption experiments, and FTIR) and (ii) catalytic activity testing in fixed-bed reactors. A parallel theoretical investigation of the same set of reactions and catalysts is aimed to (i) interpretation of spectroscopic and adsorption experimental data at molecular level and (ii) understanding of catalytic activity of MOF's and mechanisms of investigated reactions.