Krypton oxides under pressure

Article, Preprint English OPEN
Zaleski-Ejgierd, Patryk ; Łata, Paweł (2015)
  • Publisher: Nature Publishing Group
  • Journal: Scientific Reports, volume 6 (issn: 2045-2322, eissn: 2045-2322)
  • Related identifiers: pmc: PMC4735652, doi: 10.1038/srep18938
  • Subject: Condensed Matter - Materials Science | Article

Under high pressure, krypton, one of the most inert elements is predicted to become sufficiently reactive to form a new class of krypton compounds; krypton oxides. Using modern ab-initio evolutionary algorithms in combination with Density Functional Theory, we predict the existence of several thermodynamically stable Kr/O species at elevated pressures. In particular, our calculations indicate that at approx. 300 GPa the monoxide, KrO, should form spontaneously and remain thermo- and dynamically stable with respect to constituent elements and higher oxides. The monoxide is predicted to form non-molecular crystals with short Kr-O contacts, typical for genuine chemical bonds.
  • References (25)
    25 references, page 1 of 3

    Rayleigh L. & Ramsay W. Argon, a New Constituent of the Atmosphere. Proc. R. Soc. 57, 265–287 (1894).

    Pauling L.The Formulas of Antimonic Acid and the Antimonates. J. Am. Chem. Soc.55, 1895–1900 (1933).

    Bartlett N.Xenon hexafluoroplatinate (V) Xe+[PtF 6]−. Proc. Chem. Soc. 218, 197–236 (1962).

    Lundell J. & Kunttu H. Structure, spectra, and stability of argon hydride ion (Ar 2 H+), krypton hydride ion (Kr 2 H+), xenon hydride ion (Xe 2 H+): an effective core potential approach. J. Phys. Chem. 96, 9774–9781 (1992).

    Lundell J., Khriachtchev L., Pettersson M. & Rasanen M. Formation and characterization of neutral krypton and xenon hydrides in low-temperature matrices. Low Temp. Phys. 26, 680–690 (2000).

    Pettersson M., Khriachtchev L., Lignel,A. & Gerber,R. B. HKrF in solid krypton. J. Chem. Phys. 116, 2508–2515 (2002).

    Kameneva S. V., Kobzarenko A. V. & Feldman V. I. Kinetics and mechanism of the radiation-chemical synthesis of krypton hydrides in solid krypton matrices. Rad. Phys. Chem. 110, 17–23 (2015).

    Kleppe A. K., Amboage M. & Jephcoat A. P. New high-pressure van der Waals compound Kr(H 2)4 discovered in the krypton-hydrogen binary system. Sci. Rep. 4, 4989 (2014).

  • Metrics
    No metrics available
Share - Bookmark