Intrazeolite anchoring of Co, Ru, and (Ru-Co) carbonyl clusters: synthesis, characterization, and their catalysis for CO hydrogenation

Article Abstract:

Research was conducted to examine the intrazeolite anchoring of Co, Ru and Ru-Co carbonyl clusters and their catalytic performances for CO hydrogenation. A combination of several approaches including infrared and extended X-ray absorption fine structure spectroscopies and CO/H2 gas chemisorption were employed to characterize the structure and properties of such clusters. Results demonstrate the catalytic activity and selectivity for the production of oxygenates, the reaction intermediate and the reaction mechanism for CO hydrogenation.

Carbon monoxide, Catalysis, Cobalt, Hydrogenation

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Intrazeolite anchoring of ruthenium carbonyl clusters: synthesis, characterization, and their catalytic performances

Article Abstract:

The intrazeolite anchoring of ruthenium carbonyl clusters and their catalytic performances were investigated using a multianalytical approach. The synthesis involves the adsorption of metal carbonyl species or metal ion exchange into zeolite cages followed by reductive carbonylation under a mixed CO and H2 atmosphere. Findings show that ruthenium carbonyl guests in Na56Y zeolite were thermally activated in a hydrogen atmosphere. The catalytic properties of the intrazeolitic ruthenium clusters showed cluster size dependence.

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Ab initio calculations of carbonyl adsorption complexes at zeolitic Bronsted sites simulated by model clusters: role of modeling

Article Abstract:

The stability of the hydrogen bonded adsorption complex and silyl-ether addition compounds on adsorption of the carbonyls formaldehyde, acetaldehyde and acetone at the Bronsted acid site were studied by three different model clusters simulating the acid site in zeolites. The relative stabilities were shown to be very much dependent on the nature of the cluster model. Test calculations with larger basis set functions or larger clusters did not qualitatively affect the results.

Adsorption

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