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Issue 34, 2017
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Fluorination promotes chalcogen bonding in crystalline solids

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Abstract

Single crystal X-ray analysis shows that intermolecular C–S⋯F chalcogen bonds are by far the shortest contacts in the crystal structure of 2,2,4,4-tetrafluoro-1,3-dithietane. Analysis of the molecular surface electrostatic potentials indicates that these contacts result from the attraction between the negative potentials of fluorines and the positive regions resulting from the overlapping of sulfur and carbon positive σ-holes. In contrast, the lattice structure of 2,2,4,4-tetrachloro-1,3-dithietane is controlled by intermolecular C–Cl⋯Cl halogen bonds. The lattices of the two systems are thus controlled by two different σ-hole interactions.

Graphical abstract: Fluorination promotes chalcogen bonding in crystalline solids

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Article information


Submitted
07 Jun 2017
Accepted
27 Jun 2017
First published
28 Jun 2017

CrystEngComm, 2017,19, 4955-4959
Article type
Communication

Fluorination promotes chalcogen bonding in crystalline solids

S. K. Nayak, V. Kumar, J. S. Murray, P. Politzer, G. Terraneo, T. Pilati, P. Metrangolo and G. Resnati, CrystEngComm, 2017, 19, 4955 DOI: 10.1039/C7CE01070B

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