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碳酸铅[CO]的合成与结构:一种无机焦碳酸盐盐类

Synthesis and Structure of Pb[CO]: An Inorganic Pyrocarbonate Salt.

作者信息

Spahr Dominik, König Jannes, Bayarjargal Lkhamsuren, Luchitskaia Rita, Milman Victor, Perlov Alexander, Liermann Hanns-Peter, Winkler Björn

机构信息

Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, Frankfurt 60438, Germany.

Dassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge CB4 0WN, United Kingdom.

出版信息

Inorg Chem. 2022 Jul 4;61(26):9855-9859. doi: 10.1021/acs.inorgchem.2c01507. Epub 2022 Jun 22.

Abstract

We have synthesized Pb[CO], an inorganic pyrocarbonate salt, in a laser-heated diamond anvil cell (LH-DAC) at 30 GPa by heating a Pb[CO] + CO mixture to ≈2000(200) K. Inorganic pyrocarbonates contain isolated [CO] groups without functional groups attached. The [CO] groups consist of two oxygen-sharing [CO] groups. Pb[CO] was characterized by synchrotron-based single-crystal structure refinement, Raman spectroscopy, and density functional theory calculations. Pb[CO] is isostructural to Sr[CO] and crystallizes in the monoclinic space group 2/ with = 4. The synthesis of Pb[CO] demonstrates that, just like in other carbonates, cation substitution is possible and that therefore inorganic pyrocarbonates are a novel family of carbonates, in addition to the established sp and sp carbonates.

摘要

我们在激光加热金刚石砧室(LH-DAC)中,通过将Pb[CO] + CO混合物加热至约2000(200) K,在30 GPa压力下合成了无机焦碳酸盐盐Pb[CO]。无机焦碳酸盐含有孤立的[CO]基团,没有连接官能团。[CO]基团由两个共享氧的[CO]基团组成。通过基于同步加速器的单晶结构精修、拉曼光谱和密度泛函理论计算对Pb[CO]进行了表征。Pb[CO]与Sr[CO]同构,结晶于单斜空间群2/,a = 4。Pb[CO]的合成表明,与其他碳酸盐一样,阳离子取代是可能的,因此无机焦碳酸盐是除了已有的sp和sp碳酸盐之外的一类新型碳酸盐。

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