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Sr[C 2 O 5 ] is an Inorganic Pyrocarbonate Salt with [C 2 O 5 ] 2- Complex Anions.

Dominik SpahrJannes KönigLkhamsuren BayarjargalVictor MilmanAlexander PerlovHanns-Peter LiermannBjoern Winkler
Published in: Journal of the American Chemical Society (2022)
The synthesis of a novel type of carbonate, namely of the inorganic pyrocarbonate salt Sr[C 2 O 5 ], which contains isolated [C 2 O 5 ] 2- -groups, significantly extends the crystal chemistry of inorganic carbonates beyond the established sp 2 - and sp 3 -carbonates. We synthesized Sr[C 2 O 5 ] in a laser-heated diamond anvil cell by reacting Sr[CO 3 ] with CO 2 . By single crystal synchrotron diffraction, Raman spectroscopy, and density functional theory (DFT) calculations, we show that it is a pyrocarbonate salt. Sr[C 2 O 5 ] is the first member of a novel family of inorganic carbonates. We predict, based on DFT calculations, that further inorganic pyrocarbonates can be obtained and that these will be relevant to geoscience and may provide a better understanding of reactions converting CO 2 into useful inorganic compounds.
Keyphrases
  • density functional theory
  • molecular dynamics
  • raman spectroscopy
  • water soluble
  • perovskite solar cells
  • molecular dynamics simulations
  • stem cells
  • ionic liquid
  • mass spectrometry
  • crystal structure
  • high speed