Halogen Oxygen Interactions and Disorder Modes in Pressure Frozen Complexes of 1,2-Dihaloperfluoroethanes with 1,4-Dioxane (Preprint)
Abstract
1,2-Diiodo-, 1,2-dibromo- and 1-bromo-2-iodoperfluoroethanes in 1:1 mixtures with 1,4-dioxane were pressure frozen in a diamond-anvil cell. Structures of cocrystal of 1,2-diiodoperfluoroethane: 1,4-dioxane at 0.30(5) GPa/296(2) K and of 1-bromo-2-iodoperfluoroethane: 1,4-dioxane at 0.62(5) GPa/296 K were determined by single-crystal X-ray diffraction. Also the single-crystal of 1,4-dioxane separated from 1,2-dibromoperfluoroethane, which remained liquid, was investigated at 0.42 GPa/296 K. The cocrystal of ICF2CF2I:C4H8O2 and the 1,4-dioxane crystals are isostructural with their phases frozen by cooling; the BrCF2CF2I:C4H8O2 cocrystal has not been reported earlier. In the structure of ICF2CF2I:C4H8O2 the -CF2-CF2-moiety is disordered about the I...I molecular axis and the C4H8O2 molecule rotates about the O...O molecular axis too; and in BrCF2CF2I:C4H8O2 the Br and I atoms are disordered in this way and they possess the same position with half occupancy, but the molecule of C4H8O2 is ordered in this complex, and it is also ordered in the structure of the single crystal obtained from the BrCF2CF2Br:C4H8O2 mixture.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 17, 2007
- Accession Number
- ADA477923
Entities
People
- Andrzej Katrusiak
- Anna Olejniczak
Organizations
- Adam Mickiewicz University in Poznań