Orbital‐Like Motion of Hydride Ligands around Low‐Coordinate Metal Centers1. (19th October 2014)

• Record Type: Journal Article
• Authors: Ortuño, Manuel A.; Vidossich, Pietro; Conejero, Salvador; Lledós, Agustí
• Is Part Of: Angewandte Chemie. Volume 126:Number 51(2014)
• Page Start: 14382
• Page End: 14385
• Publication Date: 2014-10-19
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201407572
• Languages: English
• ISSNs: 0044-8249

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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.</p> </abstract>