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Computational study of Xe(OH)4, XeO(OH)3(-), and XeO2(OH)2(2-)
1School of Applied Chemistry, Chung Shan Medical University, 402 Taichung, Taiwan, Republic of China. chlai125@csmu.edu.tw
The Journal of Physical Chemistry. A
|September 19, 2012
Summary
Researchers explored the chemical properties of noble gases, synthesizing XeO(2) and comparing its square-planar structure to Xe(VIII)
Area of Science:
- Inorganic Chemistry
- Theoretical Chemistry
- Noble Gas Chemistry
Background:
- Noble gases have vast applicability, necessitating a deeper understanding of their chemical properties.
- Recent synthesis of Xenon dioxide (XeO(2)) by Brock et al. revealed an extended structure with Xe(IV) oxygen-bridged to four oxygen atoms.
Purpose of the Study:
- To theoretically compare the properties of four-oxygen-bound Xenon(IV) and Xenon(VIII) species.
- To evaluate the properties of XeOn(OH)(4-n)(n-) species (n=0, 1, 2) and compare them with Xenon tetroxide (XeO(4)).
Main Methods:
- Density Functional Theory (DFT) functional TPSS1KCIS was primarily used for theoretical calculations.
- Raman and (16/18)O isotopic enrichment studies were employed to characterize XeO(2).
Main Results:
- XeO(2) exhibits a local square-planar XeO(4) geometry based on valence shell electron pair repulsion (AX(4)E(2) arrangement).
- Xe(VIII) species bound to four oxygen atoms adopt a tetrahedral geometry.
- Theoretical comparison provided insights into the electronic structures and properties of these Xenon-oxygen compounds.
Conclusions:
- The study provides a theoretical framework for understanding Xenon-oxygen compounds.
- The findings contribute to the broader knowledge of noble gas chemistry and their potential applications.
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