Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe)
The fluorine-less noble gas containing anions OBONgO<sup>−</sup> and OCNNgO<sup>−</sup> 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 kineticall...
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MDPI AG
2020-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/24/5839 |
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doaj-5739ecbc34e04999a605d49db34158692020-12-11T00:05:02ZengMDPI AGMolecules1420-30492020-12-01255839583910.3390/molecules25245839Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe)Cheng-Cheng Tsai0Yu-Wei Lu1Wei-Ping Hu2Department of Chemistry and Biochemistry, National Chung Cheng University, Chia-Yi 621, TaiwanDepartment of Chemistry and Biochemistry, National Chung Cheng University, Chia-Yi 621, TaiwanDepartment of Chemistry and Biochemistry, National Chung Cheng University, Chia-Yi 621, TaiwanThe fluorine-less noble gas containing anions OBONgO<sup>−</sup> and OCNNgO<sup>−</sup> 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<sup>−</sup>…NgO.https://www.mdpi.com/1420-3049/25/24/5839noble gas anionsnoble gas chemistryelectron densitystability of noble gas containing molecules |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Cheng-Cheng Tsai Yu-Wei Lu Wei-Ping Hu |
| spellingShingle |
Cheng-Cheng Tsai Yu-Wei Lu Wei-Ping Hu Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) Molecules noble gas anions noble gas chemistry electron density stability of noble gas containing molecules |
| author_facet |
Cheng-Cheng Tsai Yu-Wei Lu Wei-Ping Hu |
| author_sort |
Cheng-Cheng Tsai |
| title |
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) |
| title_short |
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) |
| title_full |
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) |
| title_fullStr |
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) |
| title_full_unstemmed |
Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO<sup>− </sup>and OCNNgO<sup>−</sup> (Ng = He, Ar, Kr and Xe) |
| title_sort |
theoretical prediction on the new types of noble gas containing anions obongo<sup>− </sup>and ocnngo<sup>−</sup> (ng = he, ar, kr and xe) |
| publisher |
MDPI AG |
| series |
Molecules |
| issn |
1420-3049 |
| publishDate |
2020-12-01 |
| description |
The fluorine-less noble gas containing anions OBONgO<sup>−</sup> and OCNNgO<sup>−</sup> 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<sup>−</sup>…NgO. |
| topic |
noble gas anions noble gas chemistry electron density stability of noble gas containing molecules |
| url |
https://www.mdpi.com/1420-3049/25/24/5839 |
| work_keys_str_mv |
AT chengchengtsai theoreticalpredictiononthenewtypesofnoblegascontaininganionsobongosupsupandocnngosupsupnghearkrandxe AT yuweilu theoreticalpredictiononthenewtypesofnoblegascontaininganionsobongosupsupandocnngosupsupnghearkrandxe AT weipinghu theoreticalpredictiononthenewtypesofnoblegascontaininganionsobongosupsupandocnngosupsupnghearkrandxe |
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