Angewandte Chemie International Edition · 2012 · 32 citations · 44 references
Natural SciencesChemistryCrystal StructureInorganic ChemistrySolid-state ChemistryCoordination ChemistryCrystal ChemistryMolecular SymmetryHydrogen BondingHypervalent CompoundsLanthanide Hydrides
High-pressure conditions afford unique all-hydrido hypervalent complexes [SiH6]2− in the crystalline hydridosilicates A2SiH6 (A=K, Rb). Compared to normal-valent silanes the SiH bond appears considerably enlarged, by about 0.15 Å. Accordingly, SiH stretching frequencies are drastically reduced, by about 400–500 cm−1, thus reflecting the weakness of a hypervalent SiH bond. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
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