Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure
- Author(s)
- Natalia Sacharczuk, Anna Olejniczak, Maciej Bujak, Kamil Filip Dziubek, Andrzej Katrusiak, Marcin Podsiadło
- Abstract
The structures of the simplest symmetric primary ethers [(C n H2n+1)2O, n = 1-3] determined under high pressure revealed their conformational preferences and intermolecular interactions. In three new polymorphs of diethyl ether (C2H5)2O, high pressure promotes intermolecular CH⋯O contacts and enforces a conversion from the trans-trans conformer present in the α, β and γ phases to the trans-gauche conformer, which is higher in energy by 6.4 kJ mol-1, in the δ phase. Two new polymorphs of dimethyl ether (CH3)2O display analogous transformations of the CH⋯O bonds. The crystal structure of di-n-propyl ether (C3H7)2O, determined for the first time, is remarkably stable over the whole pressure range investigated from 1.70 up to 5.30 GPa.
- Organisation(s)
- Department of Mineralogy and Crystallography
- External organisation(s)
- Adam Mickiewicz University, Opole University
- Journal
- IUCrJ
- Volume
- 11
- Pages
- 57-61
- No. of pages
- 5
- ISSN
- 2052-2525
- DOI
- https://doi.org/10.1107/S2052252523009995
- Publication date
- 01-2024
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 105113 Crystallography, 104011 Materials chemistry, 104006 Solid state chemistry, 103018 Materials physics
- Keywords
- ASJC Scopus subject areas
- General Chemistry, Biochemistry, General Materials Science, Condensed Matter Physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/c1f4b6cb-6cdb-4fb8-902f-14d4b042ad05