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Updated: Oct 15, 2025

Synthesis and Characterization of Supramolecular Colloids
Published on: April 22, 2016
Hydrogen bonding interactions can decrease clar sextet character in acridone pigments
Zhili Wen1, Lucas José Karas1, Judy I-Chia Wu1
1Department of Chemistry, University of Houston, Houston, Texas 77204, USA. jiwu@central.uh.edu.
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.
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