The Interhalogen Cations [Br2F5]+ and [Br3F8]+

Sergei I. Ivlev; Antti J. Karttunen; Magnus R. Buchner; Matthias Conrad; Florian Kraus

doi:10.1002/anie.201803708

The Interhalogen Cations [Br₂F₅]⁺ and [Br₃F₈]⁺

Sergei I. Ivlev, Antti J. Karttunen, Magnus R. Buchner, Matthias Conrad, Florian Kraus^*

^*Corresponding author for this work

University of Marburg

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

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Abstract

The synthesis and characterization of unique polyhalogen cations containing μ-bridging fluorine atoms are reported. The [Br₂F₅]⁺ cation features a symmetric [F₂Br-μ-F-BrF₂] bridge, whereas the [Br₃F₈]⁺ contains asymmetric μ-F bridges. These fluoronium ions, obtained as [SbF₆]^- salts, were investigated using Raman and ¹⁹FNMR spectroscopy, as well as single-crystal X-ray diffraction. Quantum chemical calculations were carried out for the gas-phase cations as well as for the solid-state compounds. Population analyses show the μ-F atoms to possess the most negative partial charge within the cations.

Original language	English
Pages (from-to)	14640–14644
Journal	Angewandte Chemie - International Edition
Volume	57
DOIs	https://doi.org/10.1002/anie.201803708
Publication status	Published - 26 Oct 2018
MoE publication type	A1 Journal article-refereed

Keywords

Antimony pentafluoride
Bromine trifluoride
Fluoronium ions
Heteropolyhalogen cations
Structure elucidation

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10.1002/anie.201803708

CHEM-Ivlev-et al-Interhalogen Cations-2018-Angewandte ChemieAccepted author manuscript, 943 KB

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title = "The Interhalogen Cations [Br2F5]+ and [Br3F8]+",

abstract = "The synthesis and characterization of unique polyhalogen cations containing μ-bridging fluorine atoms are reported. The [Br2F5]+ cation features a symmetric [F2Br-μ-F-BrF2] bridge, whereas the [Br3F8]+ contains asymmetric μ-F bridges. These fluoronium ions, obtained as [SbF6]- salts, were investigated using Raman and 19FNMR spectroscopy, as well as single-crystal X-ray diffraction. Quantum chemical calculations were carried out for the gas-phase cations as well as for the solid-state compounds. Population analyses show the μ-F atoms to possess the most negative partial charge within the cations.",

keywords = "Antimony pentafluoride, Bromine trifluoride, Fluoronium ions, Heteropolyhalogen cations, Structure elucidation",

author = "Ivlev, {Sergei I.} and Karttunen, {Antti J.} and Buchner, {Magnus R.} and Matthias Conrad and Florian Kraus",

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year = "2018",

month = oct,

day = "26",

doi = "10.1002/anie.201803708",

language = "English",

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journal = "Angewandte Chemie - International Edition",

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TY - JOUR

T1 - The Interhalogen Cations [Br2F5]+ and [Br3F8]+

AU - Ivlev, Sergei I.

AU - Karttunen, Antti J.

AU - Buchner, Magnus R.

AU - Conrad, Matthias

AU - Kraus, Florian

N1 - HUOM! TÄMÄ MANUSKA oli TILASSA CLOSED KUNNES ARTIKKELI JULKAISTiin JA JULKAISUVIIVE MÄÄRITELTiin KUSTANTAJAN JULKAISUPÄIVÄSTÄ ALKAEN. The manuscript was ""closed"" until the article was published and the embargo date could be defined.

PY - 2018/10/26

Y1 - 2018/10/26

N2 - The synthesis and characterization of unique polyhalogen cations containing μ-bridging fluorine atoms are reported. The [Br2F5]+ cation features a symmetric [F2Br-μ-F-BrF2] bridge, whereas the [Br3F8]+ contains asymmetric μ-F bridges. These fluoronium ions, obtained as [SbF6]- salts, were investigated using Raman and 19FNMR spectroscopy, as well as single-crystal X-ray diffraction. Quantum chemical calculations were carried out for the gas-phase cations as well as for the solid-state compounds. Population analyses show the μ-F atoms to possess the most negative partial charge within the cations.

AB - The synthesis and characterization of unique polyhalogen cations containing μ-bridging fluorine atoms are reported. The [Br2F5]+ cation features a symmetric [F2Br-μ-F-BrF2] bridge, whereas the [Br3F8]+ contains asymmetric μ-F bridges. These fluoronium ions, obtained as [SbF6]- salts, were investigated using Raman and 19FNMR spectroscopy, as well as single-crystal X-ray diffraction. Quantum chemical calculations were carried out for the gas-phase cations as well as for the solid-state compounds. Population analyses show the μ-F atoms to possess the most negative partial charge within the cations.

KW - Antimony pentafluoride

KW - Bromine trifluoride

KW - Fluoronium ions

KW - Heteropolyhalogen cations

KW - Structure elucidation

UR - http://www.scopus.com/inward/record.url?scp=85047734589&partnerID=8YFLogxK

U2 - 10.1002/anie.201803708

DO - 10.1002/anie.201803708

M3 - Article

AN - SCOPUS:85047734589

SN - 1433-7851

VL - 57

SP - 14640

EP - 14644

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

ER -

The Interhalogen Cations [Br₂F₅]⁺ and [Br₃F₈]⁺

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The Interhalogen Cations [Br2F5]+ and [Br3F8]+

Abstract

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The Interhalogen Cations [Br₂F₅]⁺ and [Br₃F₈]⁺