Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals

Prof. Pierangelo Metrangolo, Prof. Giancarlo Terraneo, Prof. Gabriella Cavallo and others have recently published an article on CrystEngComm about "Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals".
The full paper can be found at the following link: Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals.

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.

 

How to cite the article:
Marco Saccone, Andrea Pace, Ivana Pibiri, Gabriella Cavallo, Pierangelo Metrangolo, Tullio Pilati, Giuseppe Resnati and Giancarlo Terraneo, Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals, CrystEngComm, 2021, 23, 7324
DOI: https://doi.org/10.1039/d1ce01001h