Issue 41, 2021

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
30 जुलाई 2021
Accepted
13 सितम्बर 2021
First published
14 सितम्बर 2021

CrystEngComm, 2021,23, 7324-7333

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

M. Saccone, A. Pace, I. Pibiri, G. Cavallo, P. Metrangolo, T. Pilati, G. Resnati and G. Terraneo, CrystEngComm, 2021, 23, 7324 DOI: 10.1039/D1CE01001H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements