Synthesis, Structure, and Charge Transport Properties of Asymmetric 5 H -Benzo[ b ]carbazoles

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Abstract
5H-Benzo[b]carbazole (BCZ) and its functionalized derivatives (2PBCZ and 3PBCZ) are designed and synthesized, which have phenyl substituents selectively introduced at different positions. Single-crystal structure analysis and theoretical calculations reveal that the most twisted molecule 2PBCZ surprisingly possesses the most efficient two-dimensional electronic couplings, although they all form herringbone packing structures. Their charge transport properties in OFETs are investigated for the first time, and 2PBCZ shows superior hole mobilities up to 0.47 cm2 V-1 s-1.
Funding Information
  • Jiangsu Provincial Department of Education
  • Anhui University
  • National Natural Science Foundation of China (22205003)

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