What question did this study set out to answer?

To understand the relationships between diradical character, aromaticity, and conductance in oligothiophenes.

January 6, 2026Chemical Science0 citationsOpen Access

Interplay between Diradical Character, Aromaticity and Conductance in Oligothiophenes

LNLouis Van NyvelVrije Universiteit Brussel ICIrene Casademont‐ReigVrije Universiteit Brussel JEJochen EeckhoudtVrije Universiteit Brussel

Key Points

To understand the relationships between diradical character, aromaticity, and conductance in oligothiophenes.
Analyzed oligothiophenes with both aromatic and quinoidal structures.
Determined the electronic ground-state structure of the oligothiophenes.
Investigated the conductance properties relative to diradical character and aromaticity.
Identified distinct patterns in the interplay of diradical character and aromaticity.
Demonstrated how modifications affect conductance in oligothiophenes.

Abstract

The fundamental relationships of the diradical character-aromaticity-conductance triangle are elucidated across a diverse set of oligothiophenes capable of adopting both aromatic and quinoidal structures. The electronic ground-state was determined using...

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