Computational insight into the reductive oligomerisation of CO at uranium(III) mixed-sandwich complexes

David McKay, Alistair S. P. Frey, Jennifer C. Green, F. Geoffrey N. Cloke, Laurent Maron*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

Calculations reveal a multistep pathway towards formation of linear [U](2)-(mu-eta(1):eta(1)-C2O2); [U] = U(eta-C8H6{SiH3-1,4}(2))(eta-Cp). However formation of deltate-bridged [U](2)-(mu-eta(1):eta(2)-C3O3) requires an alternative mechanism, involving a side-on [U](2)-(mu-eta(2):eta(2)-CO) complex and whereby the bridging units of [U](2)-(mu-eta(2):eta(2)-CnOn) intermediates (n = 1, 2) react directly with free CO.

Original languageEnglish
Pages (from-to)4118-4120
Number of pages3
JournalChemical Communications
Volume48
Issue number34
DOIs
Publication statusPublished - 2012

Keywords

  • CARBON-MONOXIDE
  • DINITROGEN
  • HYDROGENATION
  • 1,2-ADDITION
  • REACTIVITY
  • ACTIVATION
  • MECHANISM
  • BINDING
  • N-2

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