Theoretical study of the rhenium–alkane interaction in transition metal–alkane σ-complexes

Metal–alkane binding energies have been calculated for [CpRe(CO)(2)](alkane) and [(CO)(2)M(C(5)H(4))C [Image: see text] C(C(5)H(4))M(CO)(2)](alkane), where M = Re or Mn. Calculated binding energies were found to increase with the number of metal–alkane interaction sites. In all cases examined, the m...

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Détails bibliographiques
Auteurs principaux: Cobar, Erika A., Khaliullin, Rustam Z., Bergman, Robert G., Head-Gordon, Martin
Format: Artigo
Langue:Inglês
Publié: National Academy of Sciences 2007
Sujets:
Coordination Chemistry of Saturated Molecules Special Feature
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC1855367/
https://ncbi.nlm.nih.gov/pubmed/17442751
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0610295104
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