AI Article Synopsis

  • Researchers synthesized anhydrous pyrocarbonate and the first hydrogen pyrocarbonate Li[HCO] using a laser-heated diamond anvil cell at moderate pressures (around GPa).
  • The structures of these compounds were analyzed through single crystal X-ray diffraction, complemented by Raman spectroscopy and DFT calculations for a deeper understanding of their properties.
  • The discovery of the hydrogenated pyrocarbonate Li[HCO] adds to the family of inorganic pyrocarbonates, showcasing a unique O-H-O structure that transitions to a conventional O-H···O hydrogen bond when pressure is released.

Article Abstract

The anhydrous pyrocarbonate and the first hydrogen pyrocarbonate Li[HCO] have been synthesized in a laser-heated diamond anvil cell at moderate pressures (  GPa). The structures of the two compounds have been obtained from single crystal X-ray diffraction data. Raman spectroscopy and DFT calculations have been employed to further characterize their structure-property relations. The present results significantly enlarge the group of inorganic pyrocarbonates by the discovery of the hydrogenated pyrocarbonate anion Li[HCO]. In the structure of Li[HCO] there is a symmetric O-H-O arrangement at high pressures, which converts to a conventional O-H O hydrogen bond upon pressure release.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11586701PMC
http://dx.doi.org/10.1002/anie.202409822DOI Listing

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