Dizinc cation [Zn2]2+ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn2(GaCp)6][BAr4F]2

Kerstin Freitag; Hung Banh; Christian Gemel; Paul Jerabek; Rüdiger W. Seidel; Gernot Frenking; Roland A. Fischer

doi:10.1021/ic502532g

Dizinc cation [Zn₂]²⁺ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn₂(GaCp)₆][BAr₄^F]₂

Kerstin Freitag, Hung Banh, Christian Gemel, Paul Jerabek, Rüdiger W. Seidel, Gernot Frenking, Roland A. Fischer

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22 引用（Scopus）

摘要

The synthesis and characterization of the cationic mixed metal Ga/Zn cluster [Zn₂(GaCp)₆]²⁺ (1) is presented. The reaction of [Zn₂Cp₂] with [Ga₂Cp][BAr₄^F] leads to the formation of the novel complex being the first example of a [Zn₂]²⁺ core exclusively ligated by metalloid group-13 organyl-ligands. Compound 1 exhibits two different coordination modes: In the solid state, two of the six GaCp∗ ligands occupy bridging positions, whereas VT ¹H NMR indicates the coexistence of a second isomer in solution featuring six terminal GaCp∗ ligands. Quantum chemical calculations have been carried out to assign the gallium and zinc positions; the bonding situation in 1 is characterized and the importance of dispersion forces is discussed.

源语言	英语
页（从-至）	352-358
页数	7
期刊	Inorganic Chemistry
卷	54
期	1
DOI	https://doi.org/10.1021/ic502532g
出版状态	已出版 - 5 1月 2015
已对外发布	是

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title = "Dizinc cation [Zn2]2+ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn2(GaCp)6][BAr4F]2",

abstract = "The synthesis and characterization of the cationic mixed metal Ga/Zn cluster [Zn2(GaCp)6]2+ (1) is presented. The reaction of [Zn2Cp2] with [Ga2Cp][BAr4F] leads to the formation of the novel complex being the first example of a [Zn2]2+ core exclusively ligated by metalloid group-13 organyl-ligands. Compound 1 exhibits two different coordination modes: In the solid state, two of the six GaCp∗ ligands occupy bridging positions, whereas VT 1H NMR indicates the coexistence of a second isomer in solution featuring six terminal GaCp∗ ligands. Quantum chemical calculations have been carried out to assign the gallium and zinc positions; the bonding situation in 1 is characterized and the importance of dispersion forces is discussed.",

author = "Kerstin Freitag and Hung Banh and Christian Gemel and Paul Jerabek and Seidel, {R{\"u}diger W.} and Gernot Frenking and Fischer, {Roland A.}",

note = "Publisher Copyright: {\textcopyright} 2014 American Chemical Society.",

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doi = "10.1021/ic502532g",

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T2 - [Zn2(GaCp)6][BAr4F]2

AU - Freitag, Kerstin

AU - Banh, Hung

AU - Gemel, Christian

AU - Jerabek, Paul

AU - Seidel, Rüdiger W.

AU - Frenking, Gernot

AU - Fischer, Roland A.

PY - 2015/1/5

Y1 - 2015/1/5

N2 - The synthesis and characterization of the cationic mixed metal Ga/Zn cluster [Zn2(GaCp)6]2+ (1) is presented. The reaction of [Zn2Cp2] with [Ga2Cp][BAr4F] leads to the formation of the novel complex being the first example of a [Zn2]2+ core exclusively ligated by metalloid group-13 organyl-ligands. Compound 1 exhibits two different coordination modes: In the solid state, two of the six GaCp∗ ligands occupy bridging positions, whereas VT 1H NMR indicates the coexistence of a second isomer in solution featuring six terminal GaCp∗ ligands. Quantum chemical calculations have been carried out to assign the gallium and zinc positions; the bonding situation in 1 is characterized and the importance of dispersion forces is discussed.

AB - The synthesis and characterization of the cationic mixed metal Ga/Zn cluster [Zn2(GaCp)6]2+ (1) is presented. The reaction of [Zn2Cp2] with [Ga2Cp][BAr4F] leads to the formation of the novel complex being the first example of a [Zn2]2+ core exclusively ligated by metalloid group-13 organyl-ligands. Compound 1 exhibits two different coordination modes: In the solid state, two of the six GaCp∗ ligands occupy bridging positions, whereas VT 1H NMR indicates the coexistence of a second isomer in solution featuring six terminal GaCp∗ ligands. Quantum chemical calculations have been carried out to assign the gallium and zinc positions; the bonding situation in 1 is characterized and the importance of dispersion forces is discussed.

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Dizinc cation [Zn2]2+ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn2(GaCp)6][BAr4F]2

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Dizinc cation [Zn₂]²⁺ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn₂(GaCp)₆][BAr₄^F]₂