Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO- and OCNNgO- (Ng = He, Ar, Kr and Xe)

Version 1 : Received: 17 November 2020 / Approved: 18 November 2020 / Online: 18 November 2020 (14:01:51 CET)

How to cite: Tsai, C.; Lu, Y.; Hu, W. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO- and OCNNgO- (Ng = He, Ar, Kr and Xe). Preprints 2020, 2020110479 (doi: 10.20944/preprints202011.0479.v1). Tsai, C.; Lu, Y.; Hu, W. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO- and OCNNgO- (Ng = He, Ar, Kr and Xe). Preprints 2020, 2020110479 (doi: 10.20944/preprints202011.0479.v1).

Abstract

The fluorine-less noble-gas containing anions OBONgO- and OCNNgO-have been studied by correlated electronic structure calculation and density functional theory. The obtained energetics indicates that for Ng = Kr and Xe, these anions should be kinetically stable at low temperature. The molecular structures and electron density distribution suggests that these anions are stabilized by ion-induced dipole interactions with charges concentrated on the electronegative OBO and OCN groups. The current study shows that in additional to the fluoride ion, polyatomic groups with strong electronic affinities can also form stable noble-gas containing anions of the type X-...NgO.

Subject Areas

Noble Gas Anions; Noble Gas Chemistry; Electron Density; Stability of Noble-Gas Containing Molecules

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