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Antiaromaticity Gain Increases Potential for n-Type Charge Transport in Hydrogen-Bonded π-Conjugated Cores

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.

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Article information


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

Chem. Commun., 2020, Accepted Manuscript
Article type
Communication

Antiaromaticity Gain Increases Potential for n-Type Charge Transport in Hydrogen-Bonded π-Conjugated Cores

Z. Wen and J. Wu, Chem. Commun., 2020, Accepted Manuscript , DOI: 10.1039/C9CC09670A

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