A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands

Sophie L. Benjamin; Tobias Krämer; William Levason; Mark E. Light; Stuart A. Macgregor; Gillian Reid

doi:10.1021/jacs.6b04060

A Pd(0) Tetrahedron with μ₃-Bridging Trimethylantimony Ligands

Sophie L. Benjamin^*, Tobias Krämer, William Levason, Mark E. Light, Stuart A. Macgregor, Gillian Reid

^*Corresponding author for this work

School of Chemistry

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

Abstract

The palladium(II) chlorostibine complex [PdCl₂(SbMe₂Cl)₂]₂ has a dimeric structure in the solid state, stabilized by hyper-coordination at the Lewis amphoteric Sb centers. Reaction with 8 equiv of MeLi forms [Pd₄(μ₃-SbMe₃)₄(SbMe₃)₄], whose structure comprises a tetrahedral Pd(0) core with four terminal SbMe₃ ligands and four μ₃-SbMe₃ ligands, one capping each triangular Pd₃ face. Density functional theory calculations, supported by energy decomposition analysis and the natural orbitals for chemical valence scheme, highlight significant donor and acceptor orbital contributions to the bonding between both the terminal and the bridging SbMe₃ ligands and the Pd₄ core.

Original language	English
Pages (from-to)	6964-6967
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	138
Issue number	22
DOIs	https://doi.org/10.1021/jacs.6b04060
Publication status	Published - 8 Jun 2016

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title = "A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands",

abstract = "The palladium(II) chlorostibine complex [PdCl2(SbMe2Cl)2]2 has a dimeric structure in the solid state, stabilized by hyper-coordination at the Lewis amphoteric Sb centers. Reaction with 8 equiv of MeLi forms [Pd4(μ3-SbMe3)4(SbMe3)4], whose structure comprises a tetrahedral Pd(0) core with four terminal SbMe3 ligands and four μ3-SbMe3 ligands, one capping each triangular Pd3 face. Density functional theory calculations, supported by energy decomposition analysis and the natural orbitals for chemical valence scheme, highlight significant donor and acceptor orbital contributions to the bonding between both the terminal and the bridging SbMe3 ligands and the Pd4 core.",

author = "Benjamin, {Sophie L.} and Tobias Kr{\"a}mer and William Levason and Light, {Mark E.} and Macgregor, {Stuart A.} and Gillian Reid",

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T1 - A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands

AU - Benjamin, Sophie L.

AU - Krämer, Tobias

AU - Levason, William

AU - Light, Mark E.

AU - Macgregor, Stuart A.

AU - Reid, Gillian

PY - 2016/6/8

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N2 - The palladium(II) chlorostibine complex [PdCl2(SbMe2Cl)2]2 has a dimeric structure in the solid state, stabilized by hyper-coordination at the Lewis amphoteric Sb centers. Reaction with 8 equiv of MeLi forms [Pd4(μ3-SbMe3)4(SbMe3)4], whose structure comprises a tetrahedral Pd(0) core with four terminal SbMe3 ligands and four μ3-SbMe3 ligands, one capping each triangular Pd3 face. Density functional theory calculations, supported by energy decomposition analysis and the natural orbitals for chemical valence scheme, highlight significant donor and acceptor orbital contributions to the bonding between both the terminal and the bridging SbMe3 ligands and the Pd4 core.

AB - The palladium(II) chlorostibine complex [PdCl2(SbMe2Cl)2]2 has a dimeric structure in the solid state, stabilized by hyper-coordination at the Lewis amphoteric Sb centers. Reaction with 8 equiv of MeLi forms [Pd4(μ3-SbMe3)4(SbMe3)4], whose structure comprises a tetrahedral Pd(0) core with four terminal SbMe3 ligands and four μ3-SbMe3 ligands, one capping each triangular Pd3 face. Density functional theory calculations, supported by energy decomposition analysis and the natural orbitals for chemical valence scheme, highlight significant donor and acceptor orbital contributions to the bonding between both the terminal and the bridging SbMe3 ligands and the Pd4 core.

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A Pd(0) Tetrahedron with μ₃-Bridging Trimethylantimony Ligands

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