Tsai, C.-C.; Lu, Y.-W.; Hu, W.-P. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO− and OCNNgO− (Ng = He, Ar, Kr and Xe). Molecules2020, 25, 5839.
Tsai, C.-C.; Lu, Y.-W.; Hu, W.-P. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO− and OCNNgO− (Ng = He, Ar, Kr and Xe). Molecules 2020, 25, 5839.
Tsai, C.-C.; Lu, Y.-W.; Hu, W.-P. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO− and OCNNgO− (Ng = He, Ar, Kr and Xe). Molecules2020, 25, 5839.
Tsai, C.-C.; Lu, Y.-W.; Hu, W.-P. Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO− and OCNNgO− (Ng = He, Ar, Kr and Xe). Molecules 2020, 25, 5839.
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.
Keywords
Noble Gas Anions; Noble Gas Chemistry; Electron Density; Stability of Noble-Gas Containing Molecules
Subject
Chemistry and Materials Science, Analytical Chemistry
Copyright:
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