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

Manuel A Ortuno Maqueda; Pietro Vidossich; Salvador Conejero; Agustí Lledós

doi:10.1002/anie.201407572

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

Manuel A Ortuno Maqueda, Pietro Vidossich, Salvador Conejero, Agustí Lledós

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

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 (US)
Pages (from-to)	14158-14161
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	53
Issue number	51
DOIs	https://doi.org/10.1002/anie.201407572
State	Published - Dec 15 2014

Bibliographical note

Publisher Copyright:
© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords

Agostic interactions
Carbene ligands
Coordination modes
Fluxionality
Hydrides

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10.1002/anie.201407572

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abstract = "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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T1 - Orbital-like motion of hydride ligands around low-coordinate metal centers

AU - Ortuno Maqueda, Manuel A

AU - Vidossich, Pietro

AU - Conejero, Salvador

AU - Lledós, Agustí

PY - 2014/12/15

Y1 - 2014/12/15

N2 - 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.

AB - 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.

KW - Agostic interactions

KW - Carbene ligands

KW - Coordination modes

KW - Fluxionality

KW - Hydrides

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

Abstract

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Keywords

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