New Polymorphs of the Phase-Change Material Sodium Acetate
Two new polymorphs of the phase-change material sodium acetate were characterized by single-crystal X-ray diffraction. A tetragonal form was found first. It converted to a orthorhombic form after measurement of a single crystal of the tetragonal form at 100 K and subsequent warming to ambient temper...
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| Language: | English |
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MDPI AG
2018-05-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/8/5/213 |
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| author | Birger Dittrich Justin Bergmann Peter Roloff Guido J. Reiss |
| author_facet | Birger Dittrich Justin Bergmann Peter Roloff Guido J. Reiss |
| author_sort | Birger Dittrich |
| collection | DOAJ |
| description | Two new polymorphs of the phase-change material sodium acetate were characterized by single-crystal X-ray diffraction. A tetragonal form was found first. It converted to a orthorhombic form after measurement of a single crystal of the tetragonal form at 100 K and subsequent warming to ambient temperature. Hirshfeld surface fingerprint plots show the different packing environments of the two new compared to the two known orthorhombic polymorphs Forms I and II. The accuracy and precision of the structures were improved compared to conventional independent atom model refinement through the use of aspherical scattering factors of the invariom database. We think that the layered nature of all sodium acetate forms, and the thereby limited (“quantized”) availability of vibrational modes, is related to the phenomenon of supersaturation, which is connected to its phase-change properties. |
| first_indexed | 2024-04-13T08:36:58Z |
| format | Article |
| id | doaj.art-b7dc05783c174c3aa5a122c5de0218dc |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-04-13T08:36:58Z |
| publishDate | 2018-05-01 |
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| record_format | Article |
| series | Crystals |
| spelling | doaj.art-b7dc05783c174c3aa5a122c5de0218dc2022-12-22T02:54:04ZengMDPI AGCrystals2073-43522018-05-018521310.3390/cryst8050213cryst8050213New Polymorphs of the Phase-Change Material Sodium AcetateBirger Dittrich0Justin Bergmann1Peter Roloff2Guido J. Reiss3Institute of Anorganische Chemie and Strukturchemie 2, Heinrich-Heine University of Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, GermanyInstitute of Anorganische Chemie and Strukturchemie 2, Heinrich-Heine University of Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, GermanyInstitute of Anorganische Chemie and Strukturchemie 2, Heinrich-Heine University of Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, GermanyInstitute of Anorganische Chemie and Strukturchemie 2, Heinrich-Heine University of Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, GermanyTwo new polymorphs of the phase-change material sodium acetate were characterized by single-crystal X-ray diffraction. A tetragonal form was found first. It converted to a orthorhombic form after measurement of a single crystal of the tetragonal form at 100 K and subsequent warming to ambient temperature. Hirshfeld surface fingerprint plots show the different packing environments of the two new compared to the two known orthorhombic polymorphs Forms I and II. The accuracy and precision of the structures were improved compared to conventional independent atom model refinement through the use of aspherical scattering factors of the invariom database. We think that the layered nature of all sodium acetate forms, and the thereby limited (“quantized”) availability of vibrational modes, is related to the phenomenon of supersaturation, which is connected to its phase-change properties.http://www.mdpi.com/2073-4352/8/5/213invariom refinementsodium acetatephase change materialgroup-subgroup relationships |
| spellingShingle | Birger Dittrich Justin Bergmann Peter Roloff Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals invariom refinement sodium acetate phase change material group-subgroup relationships |
| title | New Polymorphs of the Phase-Change Material Sodium Acetate |
| title_full | New Polymorphs of the Phase-Change Material Sodium Acetate |
| title_fullStr | New Polymorphs of the Phase-Change Material Sodium Acetate |
| title_full_unstemmed | New Polymorphs of the Phase-Change Material Sodium Acetate |
| title_short | New Polymorphs of the Phase-Change Material Sodium Acetate |
| title_sort | new polymorphs of the phase change material sodium acetate |
| topic | invariom refinement sodium acetate phase change material group-subgroup relationships |
| url | http://www.mdpi.com/2073-4352/8/5/213 |
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