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Issue 3, 2012
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Investigation of heterodimeric and homodimeric radical cations of the series: [F2O2]+, [F2Cl2]+, [Cl2O2]+, [F4]+, and [Cl4]+

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Abstract

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.

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

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Publication details

The article was received on 27 Sep 2011, accepted on 22 Oct 2011 and first published on 22 Nov 2011


Article type: Paper
DOI: 10.1039/C1RA00804H
Citation: RSC Adv., 2012,2, 876-881

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

    T. Schlöder and S. Riedel, RSC Adv., 2012, 2, 876
    DOI: 10.1039/C1RA00804H

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