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Issue 95, 2019
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Quantum chemical prediction of a superelectrophilic dianion and its binding with noble gas atoms

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Abstract

The present communication shows an unprecedented superelectrophilic behaviour of dianion [BeB11(CN)11]2−, containing a positively charged electrophilic center embedded in a negatively charged framework. This dianion is shown to form stable [NgBeB11(CN)11]2− (Ng = He, Ne, Ar, Kr and Xe) compounds associated with either a Ng–Be or Ng–B bond. The dianion [BeB11(CN)11]2− binds covalently with Ar, Kr and Xe via its uncoordinated B atom.

Graphical abstract: Quantum chemical prediction of a superelectrophilic dianion and its binding with noble gas atoms

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Publication details

The article was received on 14 Oct 2019, accepted on 02 Nov 2019 and first published on 04 Nov 2019


Article type: Communication
DOI: 10.1039/C9CC08049J
Chem. Commun., 2019,55, 14379-14382

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    Quantum chemical prediction of a superelectrophilic dianion and its binding with noble gas atoms

    M. Joshi and T. K. Ghanty, Chem. Commun., 2019, 55, 14379
    DOI: 10.1039/C9CC08049J

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