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 language | English |
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Pages (from-to) | 14158-14161 |
Journal | Angewandte Chemie - International Edition |
Volume | 53 |
Issue number | 51 |
DOIs | |
Publication status | Published - 15 Dec 2014 |
Keywords
- Agostic interactions
- Carbene ligands
- Coordination modes
- Fluxionality
- Hydrides