Influence of the nature of the ligand on dirhodium(II) carbene species: A theoretical analysis

Julio Lloret; Jorge J. Carbó; Carles Bo; Agustí Lledós; Julia Pérez-Prieto

doi:10.1021/om800089k

Influence of the nature of the ligand on dirhodium(II) carbene species: A theoretical analysis

Julio Lloret, Jorge J. Carbó, Carles Bo, Agustí Lledós, Julia Pérez-Prieto

Department of Chemistry

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

22 Citations (Scopus)

Abstract

The influence of three prototypic families of bridging ligands (carboxylate, carboxamidate, and ortho-metalated arylphosphines) on the electronic structure of dirhodium(II) carbene complexes was theoretically analyzed. The calculations indicated that the electron donation of the ligand to the Rh atom, rather than the chelating ability or the metal - ligand orbital mixing, was responsible for tuning carbene charge via back-donation, which can influence the reactivity and selectivity of the dirhodium complexes in catalytic carbene transfer reactions. © 2008 American Chemical Society.

Original language	English
Pages (from-to)	2873-2876
Journal	Organometallics
Volume	27
Issue number	12
DOIs	https://doi.org/10.1021/om800089k
Publication status	Published - 23 Jun 2008

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abstract = "The influence of three prototypic families of bridging ligands (carboxylate, carboxamidate, and ortho-metalated arylphosphines) on the electronic structure of dirhodium(II) carbene complexes was theoretically analyzed. The calculations indicated that the electron donation of the ligand to the Rh atom, rather than the chelating ability or the metal - ligand orbital mixing, was responsible for tuning carbene charge via back-donation, which can influence the reactivity and selectivity of the dirhodium complexes in catalytic carbene transfer reactions. {\textcopyright} 2008 American Chemical Society.",

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AU - Lloret, Julio

AU - Carbó, Jorge J.

AU - Bo, Carles

AU - Lledós, Agustí

AU - Pérez-Prieto, Julia

PY - 2008/6/23

Y1 - 2008/6/23

N2 - The influence of three prototypic families of bridging ligands (carboxylate, carboxamidate, and ortho-metalated arylphosphines) on the electronic structure of dirhodium(II) carbene complexes was theoretically analyzed. The calculations indicated that the electron donation of the ligand to the Rh atom, rather than the chelating ability or the metal - ligand orbital mixing, was responsible for tuning carbene charge via back-donation, which can influence the reactivity and selectivity of the dirhodium complexes in catalytic carbene transfer reactions. © 2008 American Chemical Society.

AB - The influence of three prototypic families of bridging ligands (carboxylate, carboxamidate, and ortho-metalated arylphosphines) on the electronic structure of dirhodium(II) carbene complexes was theoretically analyzed. The calculations indicated that the electron donation of the ligand to the Rh atom, rather than the chelating ability or the metal - ligand orbital mixing, was responsible for tuning carbene charge via back-donation, which can influence the reactivity and selectivity of the dirhodium complexes in catalytic carbene transfer reactions. © 2008 American Chemical Society.

U2 - 10.1021/om800089k

DO - 10.1021/om800089k

M3 - Article

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JO - Organometallics

JF - Organometallics

IS - 12

ER -

Influence of the nature of the ligand on dirhodium(II) carbene species: A theoretical analysis

Abstract

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