Browsing by Subject "Reaction pathways"

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    Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes
    (Elsevier, 2008) Welker, Cathrin; Phala, Noko S; Moss, John R; Claeys, Michael; van Steen, Eric
    Thermodynamic analyses of different proposed reaction pathways to determine the thermodynamic feasibility of FT reactions on a mono- and diatomic Ru-complex as model catalysts were performed. Ru(CO)5 and Ru2(CO)9 were taken as starting complexes. The calculations illustrate that a minimum of two adjacent metal atoms is required for C O bond cleavage and chain growth in the Fischer–Tropsch synthesis. The CO-insertion mechanism seems to be thermodynamically most feasible reaction pathway on diatomic Ru-clusters.