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Nitrosonium nitrate...
Nitrosonium nitrate (NO+NO3-) structure solution using in situ single-crystal X-ray diffraction in a diamond anvil cell
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- Laniel, Dominique (författare)
- Univ Bayreuth, Germany
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- Winkler, Bjoern (författare)
- Goethe Univ Frankfurt, Germany
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- Koemets, Egor (författare)
- Univ Bayreuth, Germany
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- Fedotenko, Timofey (författare)
- Univ Bayreuth, Germany
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- Chariton, Stella (författare)
- Univ Chicago, IL 60637 USA
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- Milman, Victor (författare)
- Dassault Syst BIOVIA, England
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- Glazyrin, Konstantin (författare)
- DESY, Germany
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- Prakapenka, Vitali (författare)
- Univ Chicago, IL 60637 USA
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- Dubrovinsky, Leonid (författare)
- Univ Bayreuth, Germany
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- Doubrovinckaia, Natalia (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Univ Bayreuth, Germany
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(creator_code:org_t)
- International Union of Crystallography, 2021
- 2021
- Engelska.
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Ingår i: IUCrJ. - : International Union of Crystallography. - 2052-2525. ; 8, s. 208-214
- Relaterad länk:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- At high pressures, autoionization - along with polymerization and metallization - is one of the responses of simple molecular systems to a rise in electron density. Nitrosonium nitrate (NO+NO3-), known for this property, has attracted a large interest in recent decades and was reported to be synthesized at high pressure and high temperature from a variety of nitrogen-oxygen precursors, such as N2O4, N2O and N-2-O-2 mixtures. However, its structure has not been determined unambiguously. Here, we present the first structure solution and refinement for nitrosonium nitrate on the basis of single-crystal X-ray diffraction at 7.0 and 37.0 GPa. The structure model (P2(1)/m space group) contains the triple-bonded NO+ cation and the NO3- sp(2)-trigonal planar anion. Remarkably, crystal-chemical considerations and accompanying density-functional-theory calculations show that the oxygen atom of the NO+ unit is positively charged - a rare occurrence when in the presence of a less-electronegative element.
Ämnesord
- NATURVETENSKAP -- Biologi -- Strukturbiologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Structural Biology (hsv//eng)
Nyckelord
- nitrosonium nitrate; high-pressure single-crystal X-ray diffraction; positively charged oxygen atoms; structure refinement
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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IUCrJ
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- Av författaren/redakt...
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Laniel, Dominiqu ...
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Winkler, Bjoern
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Koemets, Egor
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Fedotenko, Timof ...
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Chariton, Stella
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Milman, Victor
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visa fler...
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Glazyrin, Konsta ...
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Prakapenka, Vita ...
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Dubrovinsky, Leo ...
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Doubrovinckaia, ...
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- NATURVETENSKAP
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NATURVETENSKAP
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och Biologi
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och Strukturbiologi
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IUCrJ
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Linköpings universitet