Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
2014
Ortuño, Manuel A. | Vidossich, Pietro | Conejero, Salvador | Lledós, Agustí
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.
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