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• W2012458718 abstract "Hexaphenylbenzene (HPB) and analogous compounds have properties of broad utility in science and technology, including conformationally well-defined molecular structures, high thermal stability, high HOMO-LUMO gaps, little self-association, inefficient packing, and high solubilities. Previous structural studies of HPB and its analogues have revealed persistent involvement of the central aromatic ring in strong C-H...pi interactions. These interactions can be blocked by adding simple ortho alkyl substituents to the peripheral phenyl groups. Comparison of the structures of HPB and a series of ortho-substituted derivatives has shown systematic changes in molecular cohesion and packing, as measured by packing indices, densities, solubilities, temperatures of sublimation, melting points, and ratios of H...H, C...H, and C...C contacts. These results illustrate how crystal engineering can guide the search for improved materials by identifying small but telling molecular alterations that thwart established patterns of association." @default.
• W2012458718 created "2016-06-24" @default.
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• W2012458718 date "2009-12-09" @default.
• W2012458718 modified "2023-10-09" @default.
• W2012458718 title "Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes" @default.
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• W2012458718 doi "https://doi.org/10.1021/jo902175u" @default.
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