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A Family of Superhelicenes: Easily Tunable, Chiral Nanographenes by Merging Helicity with Planar π Systems

D.L. Reger, Philipp Haines, Konstantin Amsharov, J.A.R. Schmidt, Tobias Ullrich, Simon Bönisch, Frank Hampel, Andreas Görling, Jenny Nelson, Kim E. Jelfs, Dirk M. Guldi, Norbert Jux

2021Angewandte Chemie International Edition97 citationsDOIOpen Access PDF

Abstract

We designed a straightforward synthetic route towards a full-fledged family of π-extended helicenes: superhelicenes. They have two hexa-peri-hexabenzocoronenes (HBCs) in common that are connected via a central five-membered ring. By means of structurally altering this 5-membered ring, we realized a versatile library of molecular building blocks. Not only the superhelicene structure, but also their features are tuned with ease. In-depth physico-chemical characterizations served as a proof of concept thereof. The superhelicene enantiomers were separated, their circular dichroism was measured in preliminary studies and concluded with an enantiomeric assignment. Our work was rounded-off by crystal structure analyses. Mixed stacks of M- and P-isomers led to twisted molecular wires. Using such stacks, charge-carrier mobilities were calculated, giving reason to expect outstanding hole transporting properties.

Topics & Concepts

Ring (chemistry)PlanarEnantiomerCircular dichroismHelicityCrystallographyMaterials scienceChemistryStereochemistryPhysicsComputer scienceOrganic chemistryParticle physicsComputer graphics (images)Synthesis and Properties of Aromatic CompoundsAdvanced NMR Techniques and ApplicationsMolecular spectroscopy and chirality
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