Structure of products of H-H and C-H bond activation by Ni atom, Ni2 cluster, and Ni-porphyrin complex of Ni2 cluster

Structure of products of H-H and C-H bond activation by Ni atom, Ni2 cluster, and Ni-porphyrin complex of Ni2 cluster

New catalytic systems based on porphyrin complexes of Ni2 cluster and capable of activating C-H and H-H bonds are proposed. DFT calculations showed that a Ni2 cluster can coordinate Ni-porphyrin with a considerable gain in energy. The structures of the products of methane and hydrogen activation wer...

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Veröffentlicht in:Kinetics and catalysis 2000-01, Vol.41 (1), p.33-37
Hauptverfasser: Mamaev, V. M., Gloriozov, I. P., Lemenovskii, D. A., Zernova, E. V.
Format: Artikel
Sprache:eng
Schlagworte:
Clusters
Hydrogen bonds
Porphyrins
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Zusammenfassung:New catalytic systems based on porphyrin complexes of Ni2 cluster and capable of activating C-H and H-H bonds are proposed. DFT calculations showed that a Ni2 cluster can coordinate Ni-porphyrin with a considerable gain in energy. The structures of the products of methane and hydrogen activation were discussed.
ISSN:0023-1584
1608-3210
DOI:10.1007/BF02756137