Interplay between diradical character, aromaticity and conductance in oligothiophenes

Chemical Science 2026 Open access

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Authors: Louis Van Nyvel, Irene Casademont‐Reig, Jochen Eeckhoudt, Sergio Moles Quintero, Frank De Proft, Paul Geerlings, Mercedes Alonso
DOI: 10.1039/d5sc05918f
Cited by: 1
References: 140

Abstract

index and delocalization indices, underscoring their predictive value for local charge transport behavior. This study extends the traditional diradical-aromaticity-conductance triangle by incorporating the electronic ground-state structure as a fourth vertex and distinguishing between local and global aromaticity-conductance relationships. The resulting framework provides deeper insight into the shared electronic origins of key molecular properties and their influence on charge transport.

Fields of Study & Subjects

Synthesis and Properties of Aromatic Compounds Organic Electronics and Photovoltaics Fullerene Chemistry and Applications

Publication details

Journal / source
Chemical Science
Publisher
Royal Society of Chemistry (RSC)
Volume
17
Issue
10
Pages
5125–5144
Publication date
1 January 2026
Language
EN