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- W2552463977 startingPage "2502" @default.
- W2552463977 abstract "The functionalization of oligoacenes and similar π-conjugated chromophores with trialkylsilylethynyl groups has proven to be a versatile means to enhance solubility and solution processability and engineer solid-state packing arrangements to produce organic semiconductors that demonstrate outstanding charge-carrier transport characteristics. While a general, empirical-based geometric model has been developed and implemented to direct the solid-state packing arrangements of these molecular materials, there exist numerous examples where the model falters. Here, we employ electronic structure methods to probe the noncovalent, intermolecular interactions of two closely related systems that result in two very different crystal packing configurations: triisopropylsilylethynyl (TIPS) pentacene and its triethylsilylethynyl (TES) analog. The quantum-chemical evaluation details how the slightly larger electron density contained within the volume of the TIPS moiety with respect to TES is in part responsible for the ..." @default.
- W2552463977 created "2016-11-30" @default.
- W2552463977 creator A5001681291 @default.
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- W2552463977 creator A5048297522 @default.
- W2552463977 creator A5056847387 @default.
- W2552463977 creator A5062961446 @default.
- W2552463977 date "2016-12-05" @default.
- W2552463977 modified "2023-09-24" @default.
- W2552463977 title "Theory-Driven Insight into the Crystal Packing of Trialkylsilylethynyl Pentacenes" @default.
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