Synthesis and Characterization of Lithium Pyrocarbonate (Li <sub>2</sub> [C <sub>2</sub> O <sub>5</sub> ]) and Lithium Hydrogen Pyrocarbonate (Li[HC <sub>2</sub> O <sub>5</sub> ])
Dominik Spahr, Lkhamsuren Bayarjargal, Maxim Bykov, Lukas Brüning, Pascal L. Jurzick, Victor Milman, Nico Giordano, Mohamed Mézouar, B. Winkler
Abstract
Abstract The anhydrous pyrocarbonate and the first hydrogen pyrocarbonate Li[HC 2 O 5 ] 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[HC 2 O 5 ] − . In the structure of Li[HC 2 O 5 ] there is a symmetric O−H−O arrangement at high pressures, which converts to a conventional O−H O hydrogen bond upon pressure release.