Orbital-like motion of hydride ligands around low-coordinate metal centers

Manuel A. Ortuño, Pietro Vidossich, Salvador Conejero, Agustí Lledós

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Abstract

© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. Hydrogen atoms in the coordination sphere of a transition metal are highly mobile ligands. Here, a new type of dynamic process involving hydrides has been characterized by computational means. This dynamic event consists of an orbital-like motion of hydride ligands around low-coordinate metal centers containing N-heterocyclic carbenes. The hydride movement around the carbene-metal-carbene axis is the lowest energy mode connecting energy equivalent isomers. This understanding provides crucial information for the interpretation of NMR spectra.
Original languageEnglish
Pages (from-to)14158-14161
JournalAngewandte Chemie - International Edition
Volume53
Issue number51
DOIs
Publication statusPublished - 15 Dec 2014

Keywords

  • Agostic interactions
  • Carbene ligands
  • Coordination modes
  • Fluxionality
  • Hydrides

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