Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes
Journal Article
2008
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Journal Title
Journal of Molecular Catalysis A: Chemical
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Elsevier
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University of Cape Town
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Abstract
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.
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Reference:
Welker, C., Phala, N. S., Moss, J. R., Claeys, M., & van Steen, E. (2008). Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono-and diatomic Ru complexes. Journal of Molecular Catalysis A: Chemical, 288(1), 75-82.