无水碳酸盐和同结构化合物
Lkhamsuren Bayarjargal1, Dominik Spahr1, Victor Milman2
1Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, Frankfurt 60438, Germany.
Inorganic chemistry
|August 14, 2023
概括
研究人员在高压和高温下合成了新的碳酸盐,Al2[C2O5][CO3]2和Al2[CO3]3. 这些化合物具有独特的碳酸盐结构,可以在环境条件下回收,并提供有关地球深层碳储存的见解.
科学领域:
- 高压矿物物理和无机化学.
- 研究氧化物和碳酸盐在极端条件下的行为.
背景情况:
- 了解地球的深层碳循环需要了解高压和高温下碳的行为.
- 氧化 (Al2O3) 与地幔组成有关,但它们的高压碳酸盐相的特征并不清楚.
研究的目的:
- 为了合成和表征新的无水碳酸相.
- 确定这些碳酸盐的结构性质和形成条件.
- 探索其他金属氧化物中类似结构的潜力及其对地球深层碳储存的影响.
主要方法:
- 高压和高温合成来自Al2O3和CO2的碳酸.
- 使用拉曼光谱和X射线衍射进行结构分析的表征.
- 密度函数理论 (DFT) 计算用于预测与其他金属氧化物的反应.
主要成果:
- 成功合成了两个无水碳酸盐:Al2[CO3]3和Al2[C2O5][CO3]2.
- 在24-28GPa时形成Al2[CO3]3,其特点是分离的碳酸盐群.
- 38 GPa以上的Al2[C2O5][CO3]2形式,具有焦碳酸盐和三角碳酸盐组,以及八面体协调的子.
- 这两种合成的碳酸均可在环境条件下回收.
- DFT预测了Fe2O3,Ti2O3,Ga2O3,In2O3和MgSiO3.3的同结构化合物.
- 预计MgSi[C2O5][CO3]2在地幔中稳定,为储存提供了新的碳物种化.
结论:
- 新的碳酸结构,Al2[CO3]3和Al2[C2O5][CO3]2,已经合成和结构阐明.
- 预计含有氧化碳酸盐的Al2[C2O5][CO3]2结构类型在高压下在其他金属氧化物中形成.
- 这种结构类型为地球深层的大量碳储存提供了潜在的机制,其中包含了丰富的地幔元素.
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