A versatile palladium synthon: [Pd(NHC)(PhC≡CPh)]

Francis Bru; Mathieu Lesieur; Albert Poater; Alexandra Slawin; Luigi Cavallo; Catherine Cazin

doi:10.1002/chem.202201917

A versatile palladium synthon: [Pd(NHC)(PhC≡CPh)]

Francis Bru, Mathieu Lesieur, Albert Poater, Alexandra Slawin, Luigi Cavallo, Catherine Cazin^*

^*Corresponding author for this work

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

Abstract

The synthesis and isolation of [Pd(NHC)(PhC≡CPh)] complexes are reported. These new 14-electron Pd(0)-complexes are key synthons leading to known palladium(0) and palladium(II) species, as well as permitting access to unprecedented mixed NHC-phosphite palladium(0) complexes.This motif permits the facile catalytic hydrosilylation of allenes. DFT calculations have allowed to characterize the relatively weak interaction between the metal and the diphenylacetylene ligand, with a comparison with a series of ligands with more or less coordinating power, bearing varied structural and electronic effects.

Original language	English
Article number	e202201917
Journal	Chemistry - A European Journal
Volume	Early View
Early online date	5 Oct 2022
DOIs	https://doi.org/10.1002/chem.202201917
Publication status	E-pub ahead of print - 5 Oct 2022

Keywords

Alkyne ligands
Carbene ligands
Homogeous catalysis
Hydrosilylation
Palladium

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10.1002/chem.202201917

Bru_2022_CEJ_versatile_palladium_AAM
Copyright © 2022 Wiley-VCH GmbH. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1002/chem.202201917
Accepted author manuscript, 1.68 MB

CCDC 1422355 -1422358: Experimental Crystal Structure Determination
Bru, F. (Creator), Lesieur, M. (Creator), Poater, A. (Creator), Slawin, A. (Creator), Cavallo, L. (Creator) & Cazin, C. (Creator), Cambridge Crystallographic Data Centre, 2022
DOI: 10.5517/ccdc.csd.cc1jr2fs, https://dx.doi.org/10.5517/ccdc.csd.cc1jr2gt and 2 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1jr2hv, https://dx.doi.org/10.5517/ccdc.csd.cc1jr2jw (show fewer)
Dataset

Cite this

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title = "A versatile palladium synthon: [Pd(NHC)(PhC≡CPh)]",

abstract = "The synthesis and isolation of [Pd(NHC)(PhC≡CPh)] complexes are reported. These new 14-electron Pd(0)-complexes are key synthons leading to known palladium(0) and palladium(II) species, as well as permitting access to unprecedented mixed NHC-phosphite palladium(0) complexes.This motif permits the facile catalytic hydrosilylation of allenes. DFT calculations have allowed to characterize the relatively weak interaction between the metal and the diphenylacetylene ligand, with a comparison with a series of ligands with more or less coordinating power, bearing varied structural and electronic effects.",

keywords = "Alkyne ligands, Carbene ligands, Homogeous catalysis, Hydrosilylation, Palladium",

author = "Francis Bru and Mathieu Lesieur and Albert Poater and Alexandra Slawin and Luigi Cavallo and Catherine Cazin",

note = "We gratefully acknowledge support of this research by the FWO(G054619N) and the UGentBOF. A.P. is a Serra H{\'u}nter Fellow and ICREA Academia Prize 2019 and thanks the Spanish Ministerio de Ciencia e Innovaci{\'o}n for project PID2021-127423NB-I00. L.C. thanks the King Abdullah University of Science and Technology (KAUST) Supercomputing Laboratory (KSL).",

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doi = "10.1002/chem.202201917",

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T1 - A versatile palladium synthon: [Pd(NHC)(PhC≡CPh)]

AU - Bru, Francis

AU - Lesieur, Mathieu

AU - Poater, Albert

AU - Slawin, Alexandra

AU - Cavallo, Luigi

AU - Cazin, Catherine

N1 - We gratefully acknowledge support of this research by the FWO(G054619N) and the UGentBOF. A.P. is a Serra Húnter Fellow and ICREA Academia Prize 2019 and thanks the Spanish Ministerio de Ciencia e Innovación for project PID2021-127423NB-I00. L.C. thanks the King Abdullah University of Science and Technology (KAUST) Supercomputing Laboratory (KSL).

PY - 2022/10/5

Y1 - 2022/10/5

N2 - The synthesis and isolation of [Pd(NHC)(PhC≡CPh)] complexes are reported. These new 14-electron Pd(0)-complexes are key synthons leading to known palladium(0) and palladium(II) species, as well as permitting access to unprecedented mixed NHC-phosphite palladium(0) complexes.This motif permits the facile catalytic hydrosilylation of allenes. DFT calculations have allowed to characterize the relatively weak interaction between the metal and the diphenylacetylene ligand, with a comparison with a series of ligands with more or less coordinating power, bearing varied structural and electronic effects.

AB - The synthesis and isolation of [Pd(NHC)(PhC≡CPh)] complexes are reported. These new 14-electron Pd(0)-complexes are key synthons leading to known palladium(0) and palladium(II) species, as well as permitting access to unprecedented mixed NHC-phosphite palladium(0) complexes.This motif permits the facile catalytic hydrosilylation of allenes. DFT calculations have allowed to characterize the relatively weak interaction between the metal and the diphenylacetylene ligand, with a comparison with a series of ligands with more or less coordinating power, bearing varied structural and electronic effects.

KW - Alkyne ligands

KW - Carbene ligands

KW - Homogeous catalysis

KW - Hydrosilylation

KW - Palladium

U2 - 10.1002/chem.202201917

DO - 10.1002/chem.202201917

M3 - Article

SN - 0947-6539

VL - Early View

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

M1 - e202201917

ER -

A versatile palladium synthon: [Pd(NHC)(PhC≡CPh)]

Abstract

Keywords

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Datasets

CCDC 1422355 -1422358: Experimental Crystal Structure Determination

Cite this