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

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

Tutkijat

Organisaatiot

  • University of Marburg

Kuvaus

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.

Yksityiskohdat

AlkuperäiskieliEnglanti
Sivut284-291
Sivumäärä8
JulkaisuZeitschrift fur Anorganische und Allgemeine Chemie
Vuosikerta645
Numero3
TilaJulkaistu - 15 helmikuuta 2019
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

ID: 30260766