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1 article(s) from Tong, Qiong

Crystal design using multipolar electrostatic interactions: A concept study for organic electronics

Peer Kirsch,
Qiong Tong and
Harald Untenecker

Beilstein J. Org. Chem. 2013, 9, 2367–2373, doi:10.3762/bjoc.9.272

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Graphical Abstract

Figure 1: Schematic view of the different types of molecular arrangements in acene-based molecular semiconduc...

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Figure 2: Target compound 1 and its calculated electrostatic potential surface. The colors denote a range of ...

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Scheme 1: Syntheses of the substitution products 1 and 3: a) Catechol, K₂CO₃, THF; 60 °C, 4 h (12%). b) Catec...

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Figure 3: The crystal structure of 1 is characterized by brick wall-like stacks (left), which are arranged in...

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Figure 4: The electrostatic factors determining the packing of 1. The laterally interlinked sheets are stabil...

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Figure 5: The four closest pairs A–D in the crystal structure of 1. The corresponding transfer integrals for ...

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Figure 6: Geometries of HOMO (−5.64 eV, left) and LUMO (−1.29 eV, right) of 1 [15].

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Full Research Paper

Published 05 Nov 2013

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