A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)] (NHC = N-Heterocyclic Carbene)

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)] (NHC = N-Heterocyclic Carbene)

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

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

8 Scopus citations

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 (US)
Journal	Chemistry (Weinheim an der Bergstrasse, Germany)
DOIs	https://doi.org/10.1002/chem.202201917
State	Published - Sep 1 2022

ASJC Scopus subject areas

General Chemistry

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10.1002/chem.202201917

https://repository.kaust.edu.sa/bitstream/10754/680832/1/Chemistry%20A%20European%20J%20-%202022%20-%20Bru%20-%20A%20Versatile%20Palladium%20Synthon%20%20%20Pd%20NHC%20%20PhC%20CPh%20%20%20%20NHC%20%20%20N%e2%80%90Heterocyclic%20Carbene_removed.pdf

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@article{e884b97abf1b4d69a3c6c7b004a4de28,

title = "A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)] (NHC = N-Heterocyclic Carbene)",

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.",

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

note = "KAUST Repository Item: Exported on 2022-09-14 Acknowledgements: 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).",

year = "2022",

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day = "1",

doi = "10.1002/chem.202201917",

language = "English (US)",

journal = "Chemistry (Weinheim an der Bergstrasse, Germany)",

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T1 - A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)] (NHC = N-Heterocyclic Carbene)

AU - Bru, Francis

AU - Lesieur, Mathieu

AU - Poater, Albert

AU - Slawin, Alexandra

AU - Cavallo, Luigi

AU - Cazin, Catherine

N1 - KAUST Repository Item: Exported on 2022-09-14 Acknowledgements: 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 - 2022/9/1

Y1 - 2022/9/1

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.

UR - http://hdl.handle.net/10754/680832

UR - https://onlinelibrary.wiley.com/doi/10.1002/chem.202201917

U2 - 10.1002/chem.202201917

DO - 10.1002/chem.202201917

M3 - Article

C2 - 36048740

SN - 0947-6539

JO - Chemistry (Weinheim an der Bergstrasse, Germany)

JF - Chemistry (Weinheim an der Bergstrasse, Germany)

ER -

A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)] (NHC = N-Heterocyclic Carbene)

Abstract

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