High-pressure synthesis of acentric sodium pyrocarbonate, Na 2 [C 2 O 5 ]

The inorganic pyrocarbonate salt Na [C O ] crystallizes in the acentric, monoclinic space group 2 with = 2. It contains monovalent alkali metal cations together with isolated pyrocarbonate anions. The [C O ] -groups consist of two planar [CO ] -groups which are slightly tilted with respect to each o...

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Published inDalton transactions : an international journal of inorganic chemistry Vol. 53; no. 1; pp. 40 - 44
Main Authors Spahr, Dominik, Bayarjargal, Lkhamsuren, Bykov, Maxim, Brüning, Lukas, Reuter, Tim H, Milman, Victor, Liermann, Hanns-Peter, Winkler, Björn
Format Journal Article
LanguageEnglish
Published England 19.12.2023
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Summary:The inorganic pyrocarbonate salt Na [C O ] crystallizes in the acentric, monoclinic space group 2 with = 2. It contains monovalent alkali metal cations together with isolated pyrocarbonate anions. The [C O ] -groups consist of two planar [CO ] -groups which are slightly tilted with respect to each other around the bridging oxygen atom. Na [C O ] was synthesized in a laser-heated diamond anvil cell at 20(2) GPa by heating a mixture of Na [CO ] + CO to ≈800(200) K. Its crystal structure was obtained by single crystal synchrotron X-ray diffraction and confirmed by density functional theory-based calculations in combination with Raman spectroscopy. Second harmonic generation measurements verified the acentric space group symmetry. The crystal structure is characterized by alternating layers of Na -cations and [C O ] -complex anions.
ISSN:1477-9226
1477-9234
DOI:10.1039/D3DT03673A