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Orbital‐Like Motion of Hydride Ligands around Low‐Coordinate Metal Centers
Author(s) -
Ortuño Manuel A.,
Vidossich Pietro,
Conejero Salvador,
Lledós Agustí
Publication year - 2014
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201407572
Subject(s) - carbene , hydride , chemistry , metal , coordination sphere , transition metal , reaction coordinate , crystallography , computational chemistry , photochemistry , catalysis , organic chemistry
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.