(Oxo)(Fluoro)-Aluminates in KF-Al 2 O 3 System: Thermal Stability and Structural Correlation
Precise investigation of part of the phase diagram of KF-Al O system was performed in an experiment combining different techniques. Solidified mixtures of KF-Al O were studied by X-ray powder diffraction and high-field solid-state NMR spectroscopy over a wide range of compositions. To help with the...
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| Veröffentlicht in: | Inorganic chemistry 2017-11, Vol.56 (21), p.13349-13359 |
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| container_title | Inorganic chemistry |
| container_volume | 56 |
| creator | Šimko, František Rakhmatullin, Aydar Florian, Pierre Kontrík, Martin Korenko, Michal Netriová, Zuzana Danielik, Vladimír Bessada, Catherine |
| description | Precise investigation of part of the phase diagram of KF-Al
O
system was performed in an experiment combining different techniques. Solidified mixtures of KF-Al
O
were studied by X-ray powder diffraction and high-field solid-state NMR spectroscopy over a wide range of compositions. To help with the interpretation of the NMR spectra of the solidified samples found as complex admixtures, we synthesized the following pure compounds: KAlO
, K
Al
O
, α-K
AlF
, KAlF
, and K
Al
O
F
. These compounds were then characterized using various solid-state NMR techniques, including MQ-MAS and D-HMQC. NMR parameters of the pure compounds were finally determined using first-principles density functional theory calculations. The phase diagram of KF-Al
O
with the alumina content up to 30 mol % was determined by means of thermal analysis. Thermal analysis was also used for the description of the thermal stability of one synthesized compound, K
Al
O
F
. |
| doi_str_mv | 10.1021/acs.inorgchem.7b02105 |
| format | Article |
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O
system was performed in an experiment combining different techniques. Solidified mixtures of KF-Al
O
were studied by X-ray powder diffraction and high-field solid-state NMR spectroscopy over a wide range of compositions. To help with the interpretation of the NMR spectra of the solidified samples found as complex admixtures, we synthesized the following pure compounds: KAlO
, K
Al
O
, α-K
AlF
, KAlF
, and K
Al
O
F
. These compounds were then characterized using various solid-state NMR techniques, including MQ-MAS and D-HMQC. NMR parameters of the pure compounds were finally determined using first-principles density functional theory calculations. The phase diagram of KF-Al
O
with the alumina content up to 30 mol % was determined by means of thermal analysis. Thermal analysis was also used for the description of the thermal stability of one synthesized compound, K
Al
O
F
.</description><identifier>ISSN: 0020-1669</identifier><identifier>EISSN: 1520-510X</identifier><identifier>DOI: 10.1021/acs.inorgchem.7b02105</identifier><identifier>PMID: 29064237</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Chemical Sciences ; Material chemistry</subject><ispartof>Inorganic chemistry, 2017-11, Vol.56 (21), p.13349-13359</ispartof><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c1557-488fd66307fcd3a0ff1ca553275082f9391068870c99c1b69f791ac59a3400153</citedby><cites>FETCH-LOGICAL-c1557-488fd66307fcd3a0ff1ca553275082f9391068870c99c1b69f791ac59a3400153</cites><orcidid>0000-0002-3517-820X ; 0000-0003-2390-1349 ; 0000-0002-7328-5081 ; 0000-0002-9580-3900</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,2765,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/29064237$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-01898722$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Šimko, František</creatorcontrib><creatorcontrib>Rakhmatullin, Aydar</creatorcontrib><creatorcontrib>Florian, Pierre</creatorcontrib><creatorcontrib>Kontrík, Martin</creatorcontrib><creatorcontrib>Korenko, Michal</creatorcontrib><creatorcontrib>Netriová, Zuzana</creatorcontrib><creatorcontrib>Danielik, Vladimír</creatorcontrib><creatorcontrib>Bessada, Catherine</creatorcontrib><title>(Oxo)(Fluoro)-Aluminates in KF-Al 2 O 3 System: Thermal Stability and Structural Correlation</title><title>Inorganic chemistry</title><addtitle>Inorg Chem</addtitle><description>Precise investigation of part of the phase diagram of KF-Al
O
system was performed in an experiment combining different techniques. Solidified mixtures of KF-Al
O
were studied by X-ray powder diffraction and high-field solid-state NMR spectroscopy over a wide range of compositions. To help with the interpretation of the NMR spectra of the solidified samples found as complex admixtures, we synthesized the following pure compounds: KAlO
, K
Al
O
, α-K
AlF
, KAlF
, and K
Al
O
F
. These compounds were then characterized using various solid-state NMR techniques, including MQ-MAS and D-HMQC. NMR parameters of the pure compounds were finally determined using first-principles density functional theory calculations. The phase diagram of KF-Al
O
with the alumina content up to 30 mol % was determined by means of thermal analysis. Thermal analysis was also used for the description of the thermal stability of one synthesized compound, K
Al
O
F
.</description><subject>Chemical Sciences</subject><subject>Material chemistry</subject><issn>0020-1669</issn><issn>1520-510X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNo9kE1PAjEQhhujEUR_gqZHOCxO2213640QESMJBzDxYLLpllZq9oO0u0b-vUtATjPzzjxzeBC6JzAmQMmj0mHsqtp_6a0px0neZcAvUJ9wChEn8HGJ-gBdT4SQPXQTwjcASBaLa9SjEkRMWdJHn8Plbz0azoq29vUomhRt6SrVmIBdhd9mXYApXmKGV_vQmPIJr7fGl6rAq0blrnDNHqtq002-1U3ru8W09t4UqnF1dYuurCqCuTvVAXqfPa-n82ixfHmdThaRJpwnUZymdiMEg8TqDVNgLdGKc0YTDim1kkkCIk0T0FJqkgtpE0mU5lKxGIBwNkCj49-tKrKdd6Xy-6xWLptPFtkhA5LKNKH0h3S3_HirfR2CN_YMEMgOZrPObHY2m53MdtzDkdu1eWk2Z-pfJfsDZ6l1Xw</recordid><startdate>20171106</startdate><enddate>20171106</enddate><creator>Šimko, František</creator><creator>Rakhmatullin, Aydar</creator><creator>Florian, Pierre</creator><creator>Kontrík, Martin</creator><creator>Korenko, Michal</creator><creator>Netriová, Zuzana</creator><creator>Danielik, Vladimír</creator><creator>Bessada, Catherine</creator><general>American Chemical Society</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-3517-820X</orcidid><orcidid>https://orcid.org/0000-0003-2390-1349</orcidid><orcidid>https://orcid.org/0000-0002-7328-5081</orcidid><orcidid>https://orcid.org/0000-0002-9580-3900</orcidid></search><sort><creationdate>20171106</creationdate><title>(Oxo)(Fluoro)-Aluminates in KF-Al 2 O 3 System: Thermal Stability and Structural Correlation</title><author>Šimko, František ; Rakhmatullin, Aydar ; Florian, Pierre ; Kontrík, Martin ; Korenko, Michal ; Netriová, Zuzana ; Danielik, Vladimír ; Bessada, Catherine</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1557-488fd66307fcd3a0ff1ca553275082f9391068870c99c1b69f791ac59a3400153</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Chemical Sciences</topic><topic>Material chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Šimko, František</creatorcontrib><creatorcontrib>Rakhmatullin, Aydar</creatorcontrib><creatorcontrib>Florian, Pierre</creatorcontrib><creatorcontrib>Kontrík, Martin</creatorcontrib><creatorcontrib>Korenko, Michal</creatorcontrib><creatorcontrib>Netriová, Zuzana</creatorcontrib><creatorcontrib>Danielik, Vladimír</creatorcontrib><creatorcontrib>Bessada, Catherine</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Šimko, František</au><au>Rakhmatullin, Aydar</au><au>Florian, Pierre</au><au>Kontrík, Martin</au><au>Korenko, Michal</au><au>Netriová, Zuzana</au><au>Danielik, Vladimír</au><au>Bessada, Catherine</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>(Oxo)(Fluoro)-Aluminates in KF-Al 2 O 3 System: Thermal Stability and Structural Correlation</atitle><jtitle>Inorganic chemistry</jtitle><addtitle>Inorg Chem</addtitle><date>2017-11-06</date><risdate>2017</risdate><volume>56</volume><issue>21</issue><spage>13349</spage><epage>13359</epage><pages>13349-13359</pages><issn>0020-1669</issn><eissn>1520-510X</eissn><abstract>Precise investigation of part of the phase diagram of KF-Al
O
system was performed in an experiment combining different techniques. Solidified mixtures of KF-Al
O
were studied by X-ray powder diffraction and high-field solid-state NMR spectroscopy over a wide range of compositions. To help with the interpretation of the NMR spectra of the solidified samples found as complex admixtures, we synthesized the following pure compounds: KAlO
, K
Al
O
, α-K
AlF
, KAlF
, and K
Al
O
F
. These compounds were then characterized using various solid-state NMR techniques, including MQ-MAS and D-HMQC. NMR parameters of the pure compounds were finally determined using first-principles density functional theory calculations. The phase diagram of KF-Al
O
with the alumina content up to 30 mol % was determined by means of thermal analysis. Thermal analysis was also used for the description of the thermal stability of one synthesized compound, K
Al
O
F
.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>29064237</pmid><doi>10.1021/acs.inorgchem.7b02105</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-3517-820X</orcidid><orcidid>https://orcid.org/0000-0003-2390-1349</orcidid><orcidid>https://orcid.org/0000-0002-7328-5081</orcidid><orcidid>https://orcid.org/0000-0002-9580-3900</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0020-1669 |
| ispartof | Inorganic chemistry, 2017-11, Vol.56 (21), p.13349-13359 |
| issn | 0020-1669 1520-510X |
| language | eng |
| recordid | cdi_hal_primary_oai_HAL_hal_01898722v1 |
| source | ACS Publications |
| subjects | Chemical Sciences Material chemistry |
| title | (Oxo)(Fluoro)-Aluminates in KF-Al 2 O 3 System: Thermal Stability and Structural Correlation |
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