High-pressure synthesis of acentric sodium pyrocarbonate, Na[CO]
The inorganic pyrocarbonate salt Na 2 [C 2 O 5 ] crystallizes in the acentric, monoclinic space group P 2 1 with Z = 2. It contains monovalent alkali metal cations together with isolated pyrocarbonate anions. The [C 2 O 5 ] 2− -groups consist of two planar [CO 3 ] 2− -groups which are slightly tilte...
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| Published in | Dalton transactions : an international journal of inorganic chemistry Vol. 53; no. 1; pp. 4 - 44 |
|---|---|
| Main Authors | , , , , , , , |
| Format | Journal Article |
| Published |
19.12.2023
|
| Online Access | Get full text |
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| Summary: | The inorganic pyrocarbonate salt Na
2
[C
2
O
5
] crystallizes in the acentric, monoclinic space group
P
2
1
with
Z
= 2. It contains monovalent alkali metal cations together with isolated pyrocarbonate anions. The [C
2
O
5
]
2−
-groups consist of two planar [CO
3
]
2−
-groups which are slightly tilted with respect to each other around the bridging oxygen atom. Na
2
[C
2
O
5
] was synthesized in a laser-heated diamond anvil cell at 20(2) GPa by heating a mixture of Na
2
[CO
3
] + CO
2
to 800(200) K. Its crystal structure was obtained by single crystal synchrotron X-ray diffraction and confirmed by density functional theory-based calculations in combination with Raman spectroscopy. Second harmonic generation measurements verified the acentric space group symmetry. The crystal structure is characterized by alternating layers of Na
+
-cations and [C
2
O
5
]
2−
-complex anions.
Na
2
[C
2
O
5
] was synthesized by reacting Na
2
[CO
3
] with CO
2
. It is an inorganic, acentric pyrocarbonate characterized by alternating layers of tilted [C
2
O
5
]
2−
-groups and alkali metal cations. |
|---|---|
| Bibliography: | For ESI and crystallographic data in CIF or other electronic format see DOI 2301138-2301140 https://doi.org/10.1039/d3dt03673a Electronic supplementary information (ESI) available: Experimental and computational details, crystallographic data, SHG measurements and DFT calculations. CCDC |
| ISSN: | 1477-9226 1477-9234 |
| DOI: | 10.1039/d3dt03673a |