Journal of the American Chemical Society · 2016 · 23 citations · 49 references
Natural SciencesChemistryMaterials ScienceInorganic ChemistrySolid-state ChemistrySupramolecular ChemistryElectronic Structure Of SolidsIntermolecular ForcesMetal OxidesPerovskite MaterialsSupramolecular MaterialsDetonationDetonation SensitivityElectronic Structure AnalysisOrganic-inorganic Hybrid PerovskitesOxide PerovskitesPerovskite Crystal StructurePerovskite OxidesSupramolecular Interactions
The tendency of high-valence xenon to form consolidated oxide structures is herein supported by the study of K 4 Xe 3 O 12, the first example of a layered xenon perovskite. Xenon seems to be the only nontransition element that can adopt single-cation oxide perovskite frameworks. At the same time, peculiarities of electronic structure of xenon impose specific features on the bonding within a perovskite structure. Weak supramolecular interactions known as aerogen bonds are the linkers that maintain structural integrity of perovskite slabs in K 4 Xe 3 O 12 . The occurrence of aerogen bonding can provide an insight into the explosive properties of K 4 Xe 3 O 12: the weakness of supramolecular interactions allows consideration of them as possible trigger bonds responsible for the detonation sensitivity of layered xenon perovskite.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
van der Waals Volumes and Radii
A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations