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

Manuel A. Ortuño; Pietro Vidossich; Salvador Conejero; Agustí Lledós

doi:10.1002/anie.201407572

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

Manuel A. Ortuño, Pietro Vidossich, Salvador Conejero, Agustí Lledós

Department of Chemistry

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

11 Citations (Scopus)

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

Keywords

Agostic interactions
Carbene ligands
Coordination modes
Fluxionality
Hydrides

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10.1002/anie.201407572

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title = "Orbital-like motion of hydride ligands around low-coordinate metal centers",

abstract = "{\textcopyright} 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.",

keywords = "Agostic interactions, Carbene ligands, Coordination modes, Fluxionality, Hydrides",

author = "Ortu{\~n}o, {Manuel A.} and Pietro Vidossich and Salvador Conejero and Agust{\'i} Lled{\'o}s",

year = "2014",

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doi = "10.1002/anie.201407572",

language = "English",

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

AU - Ortuño, Manuel A.

AU - Vidossich, Pietro

AU - Conejero, Salvador

AU - Lledós, Agustí

PY - 2014/12/15

Y1 - 2014/12/15

N2 - © 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.

AB - © 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.

KW - Agostic interactions

KW - Carbene ligands

KW - Coordination modes

KW - Fluxionality

KW - Hydrides

U2 - 10.1002/anie.201407572

DO - 10.1002/anie.201407572

M3 - Article

VL - 53

SP - 14158

EP - 14161

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

SN - 1433-7851

IS - 51

ER -

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

Abstract

Keywords

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