F-bridged Anions of Bromine and Gold: Predictions of Unexpected Behavior

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F-bridged Anions of Bromine and Gold : Predictions of Unexpected Behavior. / Linnera, Jarno; Ivlev, Sergei I.; Kraus, Florian; Karttunen, Antti J.

In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 645, No. 3, 15.02.2019, p. 284-291.

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@article{bbb3795216f64c508f53a5559179bacf,
title = "F-bridged Anions of Bromine and Gold: Predictions of Unexpected Behavior",
abstract = "The significant similarity between MF3, MF4 –, and M2F7 – (M = Au, Br) is studied using quantum chemical methods. It is expected that compounds containing Au3F10 – anions are likely to be stable. A theoretical background for the ongoing attempts of their synthesis is provided by calculations on the stabilities and molecular structures of various bromine and gold anions with the general composition of MnF3n+1 – (n = 1, 2, 3, 4). The anions show unexpected differences and peculiarities in their energetically preferable molecular structures. Different chain-like structures are predicted as the global minima for the hypothetical Au3F10 – and Br4F13 – anions.",
keywords = "Bromine, Density functional calculations, Fluorine, Gold, Thermodynamics, MOLECULAR-STRUCTURE, CRYSTAL-STRUCTURE, COMPLEXES, SILVER, TRIFLUORIDE, TETRAFLUOROBROMATES(III), FLUORIDES, DIFFRACTION",
author = "Jarno Linnera and Ivlev, {Sergei I.} and Florian Kraus and Karttunen, {Antti J.}",
year = "2019",
month = "2",
day = "15",
doi = "10.1002/zaac.201800405",
language = "English",
volume = "645",
pages = "284--291",
journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",
issn = "0044-2313",
number = "3",

}

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TY - JOUR

T1 - F-bridged Anions of Bromine and Gold

T2 - Predictions of Unexpected Behavior

AU - Linnera, Jarno

AU - Ivlev, Sergei I.

AU - Kraus, Florian

AU - Karttunen, Antti J.

PY - 2019/2/15

Y1 - 2019/2/15

N2 - The significant similarity between MF3, MF4 –, and M2F7 – (M = Au, Br) is studied using quantum chemical methods. It is expected that compounds containing Au3F10 – anions are likely to be stable. A theoretical background for the ongoing attempts of their synthesis is provided by calculations on the stabilities and molecular structures of various bromine and gold anions with the general composition of MnF3n+1 – (n = 1, 2, 3, 4). The anions show unexpected differences and peculiarities in their energetically preferable molecular structures. Different chain-like structures are predicted as the global minima for the hypothetical Au3F10 – and Br4F13 – anions.

AB - The significant similarity between MF3, MF4 –, and M2F7 – (M = Au, Br) is studied using quantum chemical methods. It is expected that compounds containing Au3F10 – anions are likely to be stable. A theoretical background for the ongoing attempts of their synthesis is provided by calculations on the stabilities and molecular structures of various bromine and gold anions with the general composition of MnF3n+1 – (n = 1, 2, 3, 4). The anions show unexpected differences and peculiarities in their energetically preferable molecular structures. Different chain-like structures are predicted as the global minima for the hypothetical Au3F10 – and Br4F13 – anions.

KW - Bromine

KW - Density functional calculations

KW - Fluorine

KW - Gold

KW - Thermodynamics

KW - MOLECULAR-STRUCTURE

KW - CRYSTAL-STRUCTURE

KW - COMPLEXES

KW - SILVER

KW - TRIFLUORIDE

KW - TETRAFLUOROBROMATES(III)

KW - FLUORIDES

KW - DIFFRACTION

UR - http://www.scopus.com/inward/record.url?scp=85056749238&partnerID=8YFLogxK

U2 - 10.1002/zaac.201800405

DO - 10.1002/zaac.201800405

M3 - Article

VL - 645

SP - 284

EP - 291

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

SN - 0044-2313

IS - 3

ER -

ID: 30260766