Spahr Dominik, Bayarjargal Lkhamsuren, Bykov Maxim, Brüning Lukas, Jurzick Pascal L, Milman Victor, Giordano Nico, Mezouar Mohamed, Winkler Björn
Goethe University Frankfurt, Institute of Geosciences, Altenhöferallee 1, 60438, Frankfurt, Germany.
Goethe University Frankfurt, Institute of Inorganic and Analytical Chemistry, Max-von-Laue-Straße 7, 60438, Frankfurt, Germany.
Angew Chem Int Ed Engl. 2024 Dec 2;63(49):e202409822. doi: 10.1002/anie.202409822. Epub 2024 Nov 6.
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.
无水焦碳酸盐和首个碳酸氢盐Li[HCO]已在中等压力（吉帕）下于激光加热金刚石对顶砧槽中合成。这两种化合物的结构已通过单晶X射线衍射数据获得。拉曼光谱和密度泛函理论计算已被用于进一步表征它们的结构-性质关系。目前的结果通过发现氢化焦碳酸根阴离子Li[HCO]显著扩大了无机焦碳酸盐的种类。在Li[HCO]的结构中，高压下存在对称的O-H-O排列，压力释放时转变为传统的O-H···O氢键。
