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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| Abstract | 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. |
|---|---|
| AbstractList | 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. |
| Author | Winkler, Björn Reuter, Tim H Spahr, Dominik Milman, Victor Bayarjargal, Lkhamsuren Liermann, Hanns-Peter Brüning, Lukas Bykov, Maxim |
| AuthorAffiliation | Goethe University Frankfurt Dassault Systèmes BIOVIA Institute of Inorganic Chemistry Institute of Geosciences Institute of Inorganic and Analytical Chemistry University of Cologne Deutsches Elektronen-Synchrotron DESY |
| AuthorAffiliation_xml | – name: University of Cologne – name: Dassault Systèmes BIOVIA – name: Goethe University Frankfurt – name: Institute of Inorganic and Analytical Chemistry – name: Deutsches Elektronen-Synchrotron DESY – name: Institute of Geosciences – name: Institute of Inorganic Chemistry |
| Author_xml | – sequence: 1 givenname: Dominik surname: Spahr fullname: Spahr, Dominik – sequence: 2 givenname: Lkhamsuren surname: Bayarjargal fullname: Bayarjargal, Lkhamsuren – sequence: 3 givenname: Maxim surname: Bykov fullname: Bykov, Maxim – sequence: 4 givenname: Lukas surname: Brüning fullname: Brüning, Lukas – sequence: 5 givenname: Tim H surname: Reuter fullname: Reuter, Tim H – sequence: 6 givenname: Victor surname: Milman fullname: Milman, Victor – sequence: 7 givenname: Hanns-Peter surname: Liermann fullname: Liermann, Hanns-Peter – sequence: 8 givenname: Björn surname: Winkler fullname: Winkler, Björn |
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| ContentType | Journal Article |
| DOI | 10.1039/d3dt03673a |
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| Notes | 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 |
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| PublicationTitle | Dalton transactions : an international journal of inorganic chemistry |
| PublicationYear | 2023 |
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| Snippet | 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... |
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| Title | High-pressure synthesis of acentric sodium pyrocarbonate, Na[CO] |
| Volume | 53 |
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