Structure of the Lowest Temperature Phase of the Solid Benzene–Hexafluorobenzene Adduct

Abstract

Similarities with a number of liquid‐crystal systems are revealed by the structural characterization of the low‐temperature phases II—IV of the solid adduct from benzene and hexafluorobenzene (right). As the temperature is raised, increased rotation leads to a reduction in the interactions between neighboring columns of alternating C6H6 and C6F6 molecules. These results could only be obtained by using a combination of powder diffraction techniques with neutrons and synchrotron radiation.

Organic–Organic Heterostructures: Concepts and Applications

“…Remarkably, for certain systems an exchange of stacking sequence of A and B was observed, if the structure with B directly on the substrate was more stable. This type of layer inversion has been observed for PEN/p-6P/ Cu (110). [196] Spectroscopic issues were studied, for example, for SnPc on PTCDA on Ag (111).…”

Rethinking the term “pi-stacking”

“…A reversal in the direction of the overall quadrupole moment results in a central area of relative electron deficiency, thereby setting the stage for electrostatic attraction with a more typical electron-rich aromatic, leading to a preference for facecentred pairing 25 ( Fig. 1).…”

Molecular Shape and Intermolecular Liaison: Hydrocarbons and Fluorocarbons

“…The distance between the molecular planes in the stacks is 3.51 ä, and the stacks are arranged in quasi-hexagonal packing (with CÀH ¥¥¥ F interactions between molecules in neighboring stacks). The analogy between this structure and that of the 1 : 1 benzene/hexafluorobenzene structure [18] can hardly be overlooked. Whereas the molecules of benzene and hexafluorobenzene are complementary as far as their charge distributions are concerned (they have nearly equal quadrupole moments but of opposite sign [19]), the molecules of 1,3,5-tifluorobenzene are self-complementary (and have only a small quadrupole moment [20]).…”