Reversal of Clar's Aromatic‐Sextet Rule in Ultrashort Single‐End‐Capped [5,5] Carbon Nanotubes

Reversal of Clar's Aromatic‐Sextet Rule in Ultrashort Single‐End‐Capped [5,5] Carbon Nanotubes

Abstract The three‐fold HOMO‐LUMO gap oscillation, typical of finite length armchair carbon nanotubes (CNT), has a major effect on the magnetic response of ultrashort, single‐end‐capped [5,5] carbon nanotubes to a perturbing magnetic field parallel to the main symmetry axis. For the CNT's conta...

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Bibliographic Details
Main Authors: Dr. Guglielmo Monaco, Prof. Emeritus Lawrence T. Scott, Prof. Riccardo Zanasi
Format: Article
Language:English
Published: Wiley-VCH 2020-05-01
Series:ChemistryOpen
Subjects:
aromaticity
density functional calculations
magnetic properties
nanotubes
cycloparaphenylene
Online Access:https://doi.org/10.1002/open.202000091

Internet

https://doi.org/10.1002/open.202000091

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