The quest for beryllium peroxides

Inorganic Chemistry
R J BergerHubert Schmidbaur

Abstract

There is no experimental proof documented in the literature for the existence of any beryllium peroxide compound. All recent pertinent preparative attempts described in this work, using a range of beryllium salts with various peroxides as reagents under mild conditions, were equally unsuccessful. (1)H and (9)Be NMR investigations of aqueous solutions containing beryllium salts and hydrogen peroxide in a broad pH range also gave no definite evidence for the presence of peroxoberyllates as components of the manifold equilibria in such solutions. Quantum chemical calculations have therefore been carried out to delineate the energetics and structures of various beryllium peroxide model compounds. Standard Hartree-Fock and density functional methods were employed at various levels of sophistication. The series of prototypes considered consists of [BeOH](+), Be(OH)(2), Be(OH)(OOH), Be(OOH)(2), [Be(O(2))(2)](2-), [BeO(2)(OH(2))(2)], and [Be(2)(O(2))(2)(OH(2))(4)] (all in the gas phase). Surprisingly, the triatomic cation [BeOH](+) has been found to have a linear structure. All the Be-O(peroxide) bonds are found to be rather long, suggesting weaker bonding compared to the Be-O bonds in aquo, hydroxo, or oxo complexes. Hydrogen peroxide...Continue Reading

References

May 7, 1997·Inorganic Chemistry·Michael SchmidtHubert Schmidbaur

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Citations

Mar 8, 2013·Acta Crystallographica. Section E, Structure Reports Online·Raphael Johann Friedrich BergerNorbert Werner Mitzel
Sep 2, 2015·Scientific Reports·Sergey S LobanovAlexander F Goncharov
Apr 12, 2017·Inorganic Chemistry·Shoutao ZhangGuochun Yang
Feb 16, 2012·Physical Chemistry Chemical Physics : PCCP·Pekka Pyykkö

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