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Twisted [C 2 O 5 ] 2− -groups in Ba[C 2 O 5 ] pyrocarbonate
The inorganic pyrocarbonate salt Ba[C 2 O 5 ] contains twisted pyrocarbonate anions ([C 2 O 5 ] 2− ), 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...
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| Published in: | Chemical communications (Cambridge, England) England), 2023-10, Vol.59 (80), p.11951-11954 |
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| Main Authors: | , , , , , , , |
| Format: | Article |
| Language: | English |
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| cites | cdi_FETCH-LOGICAL-c222t-5d44dfa37f38768fc7ec34bcace56159e21729dd6d84e0a7dc1ce451ace1377a3 |
| container_end_page | 11954 |
| container_issue | 80 |
| container_start_page | 11951 |
| container_title | Chemical communications (Cambridge, England) |
| container_volume | 59 |
| creator | Spahr, Dominik Bayarjargal, Lkhamsuren Haussühl, Eiken Luchitskaia, Rita Friedrich, Alexandra Milman, Victor Fedotenko, Timofey Winkler, Björn |
| description | The inorganic pyrocarbonate salt Ba[C
2
O
5
] contains twisted pyrocarbonate anions ([C
2
O
5
]
2−
), 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
2
O
5
] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO
3
] + CO
2
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
3
]
2−
-groups of the [C
2
O
5
]
2−
-anion are strongly twisted around the bridging oxygen atom. Ba[C
2
O
5
] has been observed in the pressure range of 5–30 GPa, where its symmetry is
P
6/
m
with
Z
= 12. |
| doi_str_mv | 10.1039/d3cc03324d |
| format | article |
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2
O
5
] contains twisted pyrocarbonate anions ([C
2
O
5
]
2−
), 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
2
O
5
] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO
3
] + CO
2
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
3
]
2−
-groups of the [C
2
O
5
]
2−
-anion are strongly twisted around the bridging oxygen atom. Ba[C
2
O
5
] has been observed in the pressure range of 5–30 GPa, where its symmetry is
P
6/
m
with
Z
= 12.</description><identifier>ISSN: 1359-7345</identifier><identifier>EISSN: 1364-548X</identifier><identifier>DOI: 10.1039/d3cc03324d</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Anions ; Crystal structure ; Density functional theory ; Diamond anvil cells ; Laser beam heating ; Single crystals ; Synchrotron radiation ; Synchrotrons</subject><ispartof>Chemical communications (Cambridge, England), 2023-10, Vol.59 (80), p.11951-11954</ispartof><rights>Copyright Royal Society of Chemistry 2023</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c222t-5d44dfa37f38768fc7ec34bcace56159e21729dd6d84e0a7dc1ce451ace1377a3</citedby><cites>FETCH-LOGICAL-c222t-5d44dfa37f38768fc7ec34bcace56159e21729dd6d84e0a7dc1ce451ace1377a3</cites><orcidid>0000-0003-0489-5270 ; 0000-0003-2258-1347 ; 0000-0002-1411-7336</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27903,27904</link.rule.ids></links><search><creatorcontrib>Spahr, Dominik</creatorcontrib><creatorcontrib>Bayarjargal, Lkhamsuren</creatorcontrib><creatorcontrib>Haussühl, Eiken</creatorcontrib><creatorcontrib>Luchitskaia, Rita</creatorcontrib><creatorcontrib>Friedrich, Alexandra</creatorcontrib><creatorcontrib>Milman, Victor</creatorcontrib><creatorcontrib>Fedotenko, Timofey</creatorcontrib><creatorcontrib>Winkler, Björn</creatorcontrib><title>Twisted [C 2 O 5 ] 2− -groups in Ba[C 2 O 5 ] pyrocarbonate</title><title>Chemical communications (Cambridge, England)</title><description>The inorganic pyrocarbonate salt Ba[C
2
O
5
] contains twisted pyrocarbonate anions ([C
2
O
5
]
2−
), 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
2
O
5
] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO
3
] + CO
2
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
3
]
2−
-groups of the [C
2
O
5
]
2−
-anion are strongly twisted around the bridging oxygen atom. Ba[C
2
O
5
] has been observed in the pressure range of 5–30 GPa, where its symmetry is
P
6/
m
with
Z
= 12.</description><subject>Anions</subject><subject>Crystal structure</subject><subject>Density functional theory</subject><subject>Diamond anvil cells</subject><subject>Laser beam heating</subject><subject>Single crystals</subject><subject>Synchrotron radiation</subject><subject>Synchrotrons</subject><issn>1359-7345</issn><issn>1364-548X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpd0M1KAzEQB_AgCtbqxScIeBFhNd_JHjzo1i8o9FJBEFnSJCtbtps12UX6Bp59RJ_E1HoQ5zID_x_DMAAcY3SOEc0vLDUGUUqY3QEjTAXLOFNPu5uZ55mkjO-DgxiXKBXmagQu5-917J2FzwUkcAY5fIHk6-MTZq_BD12EdQuv9Z-wWwdvdFj4VvfuEOxVuonu6LePwePtzby4z6azu4fiapoZQkifccuYrTSVFVVSqMpIZyhbGG0cF5jnjmBJcmuFVcwhLa3BxjGOU46plJqOwel2bxf82-BiX67qaFzT6Nb5IZZECSVEniOZ6Mk_uvRDaNN1SUkiE1IbdbZVJvgYg6vKLtQrHdYlRuXmk-WEFsXPJyf0G_30Yog</recordid><startdate>20231005</startdate><enddate>20231005</enddate><creator>Spahr, Dominik</creator><creator>Bayarjargal, Lkhamsuren</creator><creator>Haussühl, Eiken</creator><creator>Luchitskaia, Rita</creator><creator>Friedrich, Alexandra</creator><creator>Milman, Victor</creator><creator>Fedotenko, Timofey</creator><creator>Winkler, Björn</creator><general>Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-0489-5270</orcidid><orcidid>https://orcid.org/0000-0003-2258-1347</orcidid><orcidid>https://orcid.org/0000-0002-1411-7336</orcidid></search><sort><creationdate>20231005</creationdate><title>Twisted [C 2 O 5 ] 2− -groups in Ba[C 2 O 5 ] pyrocarbonate</title><author>Spahr, Dominik ; Bayarjargal, Lkhamsuren ; Haussühl, Eiken ; Luchitskaia, Rita ; Friedrich, Alexandra ; Milman, Victor ; Fedotenko, Timofey ; Winkler, Björn</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c222t-5d44dfa37f38768fc7ec34bcace56159e21729dd6d84e0a7dc1ce451ace1377a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Anions</topic><topic>Crystal structure</topic><topic>Density functional theory</topic><topic>Diamond anvil cells</topic><topic>Laser beam heating</topic><topic>Single crystals</topic><topic>Synchrotron radiation</topic><topic>Synchrotrons</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Spahr, Dominik</creatorcontrib><creatorcontrib>Bayarjargal, Lkhamsuren</creatorcontrib><creatorcontrib>Haussühl, Eiken</creatorcontrib><creatorcontrib>Luchitskaia, Rita</creatorcontrib><creatorcontrib>Friedrich, Alexandra</creatorcontrib><creatorcontrib>Milman, Victor</creatorcontrib><creatorcontrib>Fedotenko, Timofey</creatorcontrib><creatorcontrib>Winkler, Björn</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Chemical communications (Cambridge, England)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Spahr, Dominik</au><au>Bayarjargal, Lkhamsuren</au><au>Haussühl, Eiken</au><au>Luchitskaia, Rita</au><au>Friedrich, Alexandra</au><au>Milman, Victor</au><au>Fedotenko, Timofey</au><au>Winkler, Björn</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Twisted [C 2 O 5 ] 2− -groups in Ba[C 2 O 5 ] pyrocarbonate</atitle><jtitle>Chemical communications (Cambridge, England)</jtitle><date>2023-10-05</date><risdate>2023</risdate><volume>59</volume><issue>80</issue><spage>11951</spage><epage>11954</epage><pages>11951-11954</pages><issn>1359-7345</issn><eissn>1364-548X</eissn><abstract>The inorganic pyrocarbonate salt Ba[C
2
O
5
] contains twisted pyrocarbonate anions ([C
2
O
5
]
2−
), 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
2
O
5
] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO
3
] + CO
2
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
3
]
2−
-groups of the [C
2
O
5
]
2−
-anion are strongly twisted around the bridging oxygen atom. Ba[C
2
O
5
] has been observed in the pressure range of 5–30 GPa, where its symmetry is
P
6/
m
with
Z
= 12.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d3cc03324d</doi><tpages>4</tpages><orcidid>https://orcid.org/0000-0003-0489-5270</orcidid><orcidid>https://orcid.org/0000-0003-2258-1347</orcidid><orcidid>https://orcid.org/0000-0002-1411-7336</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1359-7345 |
| ispartof | Chemical communications (Cambridge, England), 2023-10, Vol.59 (80), p.11951-11954 |
| issn | 1359-7345 1364-548X |
| language | eng |
| recordid | cdi_proquest_miscellaneous_2868669907 |
| source | Royal Society of Chemistry Journals |
| subjects | Anions Crystal structure Density functional theory Diamond anvil cells Laser beam heating Single crystals Synchrotron radiation Synchrotrons |
| title | Twisted [C 2 O 5 ] 2− -groups in Ba[C 2 O 5 ] pyrocarbonate |
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