ArticleNature communications2022
Using automated synthesis to understand the role of side chains on molecular charge transport.
Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed, 33 citations in OpenAlex.
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- Automated Iterative N─C and C─C Bond Formation.Angewandte Chemie (International ed. in English) · 2025Article
- Atom-by-Atom Iterative Synthetic Logic: Laying the Foundation for Programmable Automated Construction of Small Organic Molecules.ACS central science · 2025Review
- Digging through the (Statistical) Dirt: A Reproducible Method for Single-Molecule Flicker Noise Analysis.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Single-Molecule Conductance of Neutral Closed-Shell and Open-Shell Diradical Indenofluorenes.Journal of the American Chemical Society · 2024Article
- Massive acceleration of SChemical science · 2024Article
- Machine-Guided Discovery of Acrylate Photopolymer Compositions.ACS applied materials & interfaces · 2024Article
- Influence of Peripheral Alkyl Groups on Junction Configurations in Single-Molecule Electronics.The journal of physical chemistry. C, Nanomaterials and interfaces · 2024Article
- Hard Potato: A Python Library to Control Commercial Potentiostats and to Automate Electrochemical Experiments.Analytical chemistry · 2023Article
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Authors and funding
9 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The development of next-generation organic electronic materials critically relies on understanding structure-function relationships in conjugated polymers. However, unlocking the full potential of organic materials requires access to their vast chemical space while efficiently managing the large synthetic workload to survey new materials. In this work, we use automated synthesis to prepare a library of conjugated oligomers with systematically varied side chain composition followed by single-molecule characterization of charge transport. Our results show that molecular junctions with long alkyl side chains exhibit a concentration-dependent bimodal conductance with an unexpectedly high conductance state that arises due to surface adsorption and backbone planarization, which is supported by a series of control experiments using asymmetric, planarized, and sterically hindered molecules. Density functional theory simulations and experiments using different anchors and alkoxy side chains highlight the role of side chain chemistry on charge transport. Overall, this work opens new avenues for using automated synthesis for the development and understanding of organic electronic materials.
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