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- W2102811864 abstract "Abstract In this study, we obtained the first cation radical solid of a highly symmetric ( D 6 h ) polyaromatic hydrocarbon, coronene, by electrooxidation. The (coronene) 3 Mo 6 Cl 14 salt, which is formed with an O h ‐symmetric molybdenum cluster unit Mo 6 Cl 14 2– , has an isotropic cubic structure with Pm $bar {3}$ m symmetry. The presence of two orientations for the coronene molecules related by an in‐plane 90° rotation (merohedral disorder) allows for fourfold symmetry along the <100> direction. The disorder has dynamic features because 2 H NMR spectroscopic studies revealed that the coronene molecules undergo an in‐plane flipping motion. The observation of two motional sites with significantly different rotational rates (300 Hz and 5 MHz at 103 K) in an approximate 2:1 ratio appears to be consistent with the splitting of a Raman‐active A 1g mode, confirming a random charge‐disproportionated state instead of a uniform partially‐charged state. The slower‐ and faster‐rotating species are assigned to charge‐rich and charge‐poor coronenes, respectively, with respect to C–H ··· Cl hydrogen bonds with neighboring Mo 6 Cl 14 2– cluster units. The electrical conductivity of the salt is rather high but is well‐described by a three‐dimensional (3D) variable‐range hopping mechanism, which is possibly associated with the random charge disproportionation. These results provide a significant step forward in developing an isotropic 3D π‐conducting system composed of planar π‐conjugated molecules." @default.
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- W2102811864 date "2014-03-20" @default.
- W2102811864 modified "2023-09-25" @default.
- W2102811864 title "Isotropic Three‐Dimensional Molecular Conductor Based on the Coronene Radical Cation" @default.
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- W2102811864 doi "https://doi.org/10.1002/ejic.201400119" @default.
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