焦碳酸锂(Li2[C2O5])和焦碳酸氢锂(Li[HC2O5])的合成与表征

Dominik Spahr, Lkhamsuren Bayarjargal, Maxim Bykov, Lukas Brüning, Pascal L. Jurzick, Victor Milman, Nico Giordano, Mohamed Mezouar, Björn Winkler
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引用次数: 0

摘要

在中等压力(GPa)下,在激光加热的金刚石砧槽中合成了无水碳酸氢盐和第一种碳酸氢盐 Li[HC2O5]。这两种化合物的结构是从单晶 X 射线衍射数据中获得的。拉曼光谱和 DFT 计算被用来进一步描述它们的结构-性质关系。通过发现氢化焦碳酸盐阴离子 Li[HC2O5]-,本研究成果极大地扩展了无机焦碳酸盐群。在 Li[HC2O5] 的结构中,高压下存在对称的 O-H-O 排列,压力释放后则转变为传统的 O-HO 氢键。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Synthesis and Characterization of Lithium Pyrocarbonate (Li2[C2O5]) and Lithium Hydrogen Pyrocarbonate (Li[HC2O5])

Synthesis and Characterization of Lithium Pyrocarbonate (Li2[C2O5]) and Lithium Hydrogen Pyrocarbonate (Li[HC2O5])

The anhydrous pyrocarbonate and the first hydrogen pyrocarbonate Li[HC2O5] 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[HC2O5]. In the structure of Li[HC2O5] 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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来源期刊
Angewandte Chemie
Angewandte Chemie 化学科学, 有机化学, 有机合成
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