Stable copernicium hexafluoride (CnF6) with an oxidation state of VI+

文献情報

出版日 2021-11-30

DOI 10.1039/D1CP04360A

インパクトファクター 3.676

著者

Shu-Xian Hu, Wenli Zou

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要旨

As the heaviest group 12 element known currently, copernicium (Cn) often presents the oxidation states of I+, II+, and rarely IV+ as in its homologue mercury. In this work we systematically studied the stability of some oxides, fluorides, and oxyfluorides of Cn by two-component relativistic calculations and found that the CnF6 molecule with an oxidation state of VI+ has an extraordinary stability. CnF6 may decompose into CnF4 by conquering an energy barrier of about 34 kcal mol−1 without markedly releasing heat. Our results indicate that CnF6 may exist under some special conditions.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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