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Keywords = stability of noble gas containing molecules

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14 pages, 4027 KiB  
Article
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO and OCNNgO (Ng=He, Ar, Kr and Xe)
by Cheng-Cheng Tsai, Yu-Wei Lu and Wei-Ping Hu
Molecules 2020, 25(24), 5839; https://doi.org/10.3390/molecules25245839 - 10 Dec 2020
Cited by 5 | Viewed by 2997
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 [...] Read more.
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 addition to the fluoride ion, polyatomic groups with strong electronic affinities can also form stable noble gas containing anions of the type Y…NgO. Full article
(This article belongs to the Special Issue Noble Gas Compounds and Chemistry)
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