Pressure-Induced Polymerization of Polycyclic Arene-Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons
Pressure-induced polymerization of aromatic compounds leads to novel materials containing sp3 carbon-bonded networks. The choice of the molecular species and the control of their arrangement in the crystal structures via intermolecular interactions, such as the arene–perfluoroarene interaction, can enable the design of target polymers. We have investigated the crystal structure compression and pressure-induced polymerization reaction kinetics of two polycyclic 1:1 arene–perfluoroarene cocrystals, naphthalene/octafluoronaphthalene (NOFN) and anthracene/octafluoronaphthalene (AOFN), up to 25 and 30 GPa, respectively, using single-crystal synchrotron X-ray diffraction, infrared spectroscopy, a…
Halogen...halogen interactions in pressure-frozen ortho- and meta-dichlorobenzene isomers.
Isomers 1,2-dichlorobenzene (o-DCB) and 1,3-dichlorobenzene (m-DCB) were high-pressure frozen in-situ in a Merrill–Bassett diamond–anvil cell and their structures determined at room temperature and at 0.18 (5) GPa for o-DCB, and 0.17 (5) GPa for m-DCB by single-crystal X-ray diffraction. The patterns of halogen...halogen intermolecular interactions in these structures can be considered to be the main cohesive forces responsible for the molecular arrangements in these crystals. The molecular packing of dichlorobenzene isomers, including three polymorphs of 1,4-dichlorobenzene (p-DCB), have been compared and relations between their molecular symmetry, packing arrangements, intermolecular inte…