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Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
Increasing and dispersing strain in pyrene-fused azaacenes
Javier Mateos-Martín1, Marco Carini, Manuel Melle-Franco
1POLYMAT, University of the Basque Country UPV/EHU, Avenida de Tolosa 72, E-20018, Donostia-San Sebastián, Spain. amateo@polymat.eu.
Abstract:
A new strategy to obtain distorted pyrene-fused azaacenes is reported. The careful alignment and selection of substituents give rise to highly twisted pyrene-fused azaacenes. A combined global and local theoretical analysis shows how the strain is generated and dispersed across the aromatic backbone. Furthermore, simulation of the observed optoelectronic properties shines light on the structural factors that govern the properties of twisted pyrene-fused azaacenes.
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