4.8 Article

Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10

Journal

ORGANIC LETTERS
Volume 15, Issue 4, Pages 804-807

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ol303476g

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Funding

  1. German Federal Ministry of Education and Research (BMBF)
  2. Evonik Industries within the MaDriX project

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Donor and acceptor substituents were Introduced at pyrene's K-regions In order to engineer its optoelectronic properties. A study of the Influence of the substitution pattern on the frontier orbitals as well as on the molecular packing is provided. A comparison with the pure donor and acceptor substituted pyrene derivatives highlights the strong Impact of the presented donor-acceptor substitution.

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