Issue 44, 2021

Hydrogen bonding interactions can decrease clar sextet character in acridone pigments

Abstract

Computed nucleus-independent chemical shifts (NICS), contour plots of isotropic magnetic shielding (IMS), and gauge-including magnetically induced current (GIMIC) plots suggest that polarization of the π-system of acridones may perturb the numbers and positions of Clar sextet rings. Decreasing numbers of Clar sextets are connected to experimental observations of a narrowing HOMO–LUMO gap and increased charge mobility in solid-state assemblies of quinacridone and epindolidione.

Graphical abstract: Hydrogen bonding interactions can decrease clar sextet character in acridone pigments

Supplementary files

Article information

Article type
Communication
Submitted
02 Sept. 2021
Accepted
17 Okt. 2021
First published
18 Okt. 2021

Org. Biomol. Chem., 2021,19, 9619-9623

Author version available

Hydrogen bonding interactions can decrease clar sextet character in acridone pigments

Z. Wen, L. J. Karas and J. I. Wu, Org. Biomol. Chem., 2021, 19, 9619 DOI: 10.1039/D1OB01720A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements