TY  - JOUR
AU  - Spahr, Dominik
AU  - Bayarjargal, Lkhamsuren
AU  - Haussühl, Eiken
AU  - Luchitskaia, Rita
AU  - Friedrich, Alexandra
AU  - Milman, Victor
AU  - Fedotenko, Timofey
AU  - Winkler, Björn
TI  - Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate
JO  - Chemical communications
VL  - 59
IS  - 80
SN  - 0022-4936
CY  - Cambridge
PB  - Soc.
M1  - PUBDB-2023-07614
SP  - 11951 - 11954
PY  - 2023
N1  - Waiting for fulltext
AB  - The inorganic pyrocarbonate salt Ba[C<sub>2</sub>O<sub>5</sub>] contains twisted pyrocarbonate anions ([C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>), an atomic arrangement previously not observed in other pyrocarbonates. This unexpected additional structural degree of freedom points towards an enlarged chemical variability in this novel group of compounds. Ba[C<sub>2</sub>O<sub>5</sub>] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO<sub>3</sub>] + CO<sub>2</sub> to ≈ 1500(200) K. Its crystal structure was solved from single crystal synchrotron X-ray diffraction data and confirmed by density functional theory-based calculations. The two planar [CO<sub>3</sub>]<sup>2−</sup>-groups of the [C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>-anion are strongly twisted around the bridging oxygen atom. Ba[C<sub>2</sub>O<sub>5</sub>] has been observed in the pressure range of 5–30 GPa, where its symmetry is P6/m with Z=12.
LB  - PUB:(DE-HGF)16
C6  - 37747265
UR  - <Go to ISI:>//WOS:001072818800001
DO  - DOI:10.1039/D3CC03324D
UR  - https://bib-pubdb1.desy.de/record/599925
ER  -