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Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals.
- Source :
-
CrystEngComm . 11/7/2021, Vol. 23 Issue 41, p7324-7333. 10p. - Publication Year :
- 2021
-
Abstract
- We carried out a systematic evaluation of the packing forces in co-crystals featuring monoiodo- and diiodo-perfluoroalkanes and 1,2,4-oxadiazoles through single crystal X-ray diffraction and theoretical analysis. The molecules assemble via a combination of halogen bonding and specific dispersive interactions involving the perfluorinated units. We quantitatively elucidated the nature and strength of such interactions through solid-state calculations and Hirshfeld surface analysis. One of the co-crystals, formed by two monoiodoperfluorodecane molecules, the longest perfluorinated chain ever solved at the atomic level, allowed us to fully highlight the role of fluorous interactions. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14668033
- Volume :
- 23
- Issue :
- 41
- Database :
- Academic Search Index
- Journal :
- CrystEngComm
- Publication Type :
- Academic Journal
- Accession number :
- 153203427
- Full Text :
- https://doi.org/10.1039/d1ce01001h