Issue 13, 2020

Antiaromaticity gain increases the 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.

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

Supplementary files

Article information

Article type
Communication
Submitted
12 Dec. 2019
Accepted
13 Janv. 2020
First published
13 Janv. 2020

Chem. Commun., 2020,56, 2008-2011

Author version available

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, 56, 2008 DOI: 10.1039/C9CC09670A

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