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- W2783011427 endingPage "2149" @default.
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- W2783011427 abstract "To achieve long-range charge transport/separation and, in turn, bolster the efficiency of modern photovoltaic devices, new molecular scaffolds are needed that can self-assemble in two-dimensional (2D) arrays while maintaining both intra- and intermolecular electronic coupling. In an isolated molecule of pillarene, a single hole delocalizes intramolecularly via hopping amongst the circularly arrayed hydroquinone ether rings. The crystallization of pillarene cation radical produces a 2D self-assembly with three intermolecular dimeric (sandwich-like) contacts. Surprisingly, each pillarene in the crystal lattice bears a fractional formal charge of +1.5. This unusual stoichiometry of oxidized pillarene in crystals arises from effective charge distribution within the 2D array via an interplay of intra- and intermolecular electronic couplings. This important finding is expected to help advance the rational design of efficient solid-state materials for long-range charge transfer." @default.
- W2783011427 created "2018-01-26" @default.
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- W2783011427 date "2018-02-01" @default.
- W2783011427 modified "2023-10-16" @default.
- W2783011427 title "From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two‐Dimensional Solid‐State Assembly: The Case of Pillarene" @default.
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- W2783011427 doi "https://doi.org/10.1002/anie.201712159" @default.
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