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

Max-Planck-lnstitut für Kohlenforschung
Philipps-Universität Marburg

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

23 Scopus citations

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][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.

Original language	English
Pages (from-to)	352-358
Number of pages	7
Journal	Inorganic Chemistry
Volume	54
Issue number	1
DOIs	https://doi.org/10.1021/ic502532g
State	Published - 5 Jan 2015
Externally published	Yes

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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.",

year = "2015",

month = jan,

day = "5",

doi = "10.1021/ic502532g",

language = "English",

volume = "54",

pages = "352--358",

journal = "Inorganic Chemistry",

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T1 - Dizinc cation [Zn2]2+ trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces

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.

UR - https://www.scopus.com/pages/publications/84920433202

U2 - 10.1021/ic502532g

DO - 10.1021/ic502532g

M3 - Article

AN - SCOPUS:84920433202

SN - 0020-1669

VL - 54

SP - 352

EP - 358

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 1

ER -

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

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