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Issue 5, 2018
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Local and global aromaticity in a molecular carbon nanobelt: insights from magnetic response properties in neutral and charged species

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Abstract

The formation of carbon nanobelt made exclusively from fused benzene rings has recently been achieved. Our results reveal an interesting shift from a local aromatic character constrained in each of the six aromatic Clar sextets (6π-electron circuit) to a global aromatic character in charged species (+2 and −2) involving the overall π-circuit from the molecular nanobelt. This demonstrates the suppression of the local aromatic character in favor of a global aromaticity by selecting the oxidation state of the carbon nanobelt, giving rise to a shielding cone extended within the structure.

Graphical abstract: Local and global aromaticity in a molecular carbon nanobelt: insights from magnetic response properties in neutral and charged species

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Article information


Submitted
12 Dec 2017
Accepted
08 Jan 2018
First published
08 Jan 2018

Phys. Chem. Chem. Phys., 2018,20, 3433-3437
Article type
Communication

Local and global aromaticity in a molecular carbon nanobelt: insights from magnetic response properties in neutral and charged species

A. Muñoz-Castro, Phys. Chem. Chem. Phys., 2018, 20, 3433
DOI: 10.1039/C7CP08323H

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