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Investigation of heterodimeric and homodimeric radical cations of the series: [F₂O₂]⁺, [F₂Cl₂]⁺ [Cl₂O₂]⁺, [F₄]⁺, and [Cl₄]⁺

Tobias Schlöder, Sebastian Riedel – 2012

In this state-of-the-art quantum-chemical investigation we report structures, thermochemical stabilities, Born-Fajans-Haber cycles as well as vibrational data of heterodimeric and homodimeric radical cations of the series [F2O₂]⁺, [F₂Cl₂]⁺, [Cl₂O₂]⁺, [F₄]⁺, and [Cl₄]⁺. The so far experimentally unknown species [F₄]⁺, [F₂O₂]⁺ and [F₂Cl₂]⁺ are predicted to be thermochemically stable and could be possible targets for gas-phase or matrix-isolation experiments. Furthermore, their stabilities as homodimeric [X₄]⁺ or heterodimeric [X₂Y₂]⁺ radical cation salts in the solid state have been estimated by Born-Fajans-Haber cycles.

Titel
Investigation of heterodimeric and homodimeric radical cations of the series: [F₂O₂]⁺, [F₂Cl₂]⁺ [Cl₂O₂]⁺, [F₄]⁺, and [Cl₄]⁺
Verfasser
Tobias Schlöder, Sebastian Riedel
Datum
2012
Quelle/n
Erschienen in
RSC Adv., 2012, 2, 876-881
Zitierweise
DOI: 10.1039/C1RA00804H
Sprache
eng
Art
Text