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Antiaromaticity gain increases the potential for n-type charge transport in hydrogen-bonded π-conjugated cores

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Abstract

Density functional theory computations suggest that formally non-aromatic organic dyes, like diketopyrrolopyrrole, naphthodipyrrolidone, indigo, and isoindigo, show increased [4n] π-antiaromatic character and decreased LUMO orbital energies upon hydrogen bonding, making them suitable molecular candidates for applications in n-type organic field effect transistors.

Graphical abstract: Antiaromaticity gain increases the potential for n-type charge transport in hydrogen-bonded π-conjugated cores

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Article information


Submitted
12 Dec 2019
Accepted
13 Jan 2020
First published
13 Jan 2020

Chem. Commun., 2020, Advance Article
Article type
Communication

Antiaromaticity gain increases the potential for n-type charge transport in hydrogen-bonded π-conjugated cores

Z. Wen and J. I. Wu, Chem. Commun., 2020, Advance Article , DOI: 10.1039/C9CC09670A

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