Frontispiece: Rhodium Complexes Promoting C−O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species

Activation of molecular oxygen with a further addition of the oxygen atoms to olefinic C=C bonds mediated by rhodium starts with the formation of an open‐shell triplet mononuclear superoxide complex as revealed by DFT calculations. This event is ensued by the binding of the superoxide to a second mo...

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Bibliographic Details
Published in:Chemistry : a European journal 2017-04, Vol.23 (22), p.np-n/a
Main Authors: Vilella‐Arribas, Laia, García‐Melchor, Max, Balcells, David, Lledós, Agustí, López, José A., Sancho, Sofía, Villarroya, B. Eva, del Río, M. Pilar, Ciriano, Miguel A., Tejel, Cristina
Format: Article
Language:English
Subjects:
Bonding
Chemical bonds
Chemistry
C−O bond formation
density functional calculations
dioxygen cleavage
Inserts
Mathematical analysis
Olefins
Oxygen
Oxygen atoms
rhodaoxetanes
Rhodium
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Summary:Activation of molecular oxygen with a further addition of the oxygen atoms to olefinic C=C bonds mediated by rhodium starts with the formation of an open‐shell triplet mononuclear superoxide complex as revealed by DFT calculations. This event is ensued by the binding of the superoxide to a second molecule of the rhodium starting complex to follow a dinuclear pathway in which the O−O bond is further cleaved. Then, each oxygen atom inserts into a rhodium olefin bond. Details about this contribution can be found in the Full Paper by C. Tejel, A. Lledós et al. on page 5232 ff.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201782263