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  4. Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings
 
research article

Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings

Liu, Junzhi
•
Mishra, Shantanu
•
Pignedoli, Carlo A.
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July 31, 2019
Journal Of The American Chemical Society

Nonbenzenoid carbocyclic rings are postulated to serve as important structural elements toward tuning the chemical and electronic properties of extended polycyclic aromatic hydrocarbons (PAHs, or namely nanographenes), necessitating a rational and atomically precise synthetic approach toward their fabrication. Here, using a combined bottom-up in-solution and on-surface synthetic approach, we report the synthesis of nonbenzenoid open-shell nanographenes containing two pairs of embedded pentagonal and heptagonal rings. Extensive characterization of the resultant nanographene in solution shows a low optical gap, and an open-shell singlet ground state with a low singlet triplet gap. Employing ultra-high-resolution scanning tunneling microscopy and spectroscopy, we conduct atomic-scale structural and electronic studies on a cyclopenta-fused derivative on a Au(111) surface. The resultant five to seven rings embedded nanographene displays an extremely narrow energy gap of 0.27 eV and exhibits a pronounced open-shell biradical character close to 1 (y(0) = 0.92). Our experimental results are supported by mean-field and multiconfigurational quantum chemical calculations. Access to large nanographenes with a combination of nonbenzenoid topologies and open-shell character should have wide implications in harnessing new functionalities toward the realization of future organic electronic and spintronic devices.

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Type
research article
DOI
10.1021/jacs.9b04718
Web of Science ID

WOS:000479018200043

Author(s)
Liu, Junzhi
Mishra, Shantanu
Pignedoli, Carlo A.
Passerone, Daniele
Urgel, Jose I.
Fabrizio, Alberto  
Lohr, Thorsten G.
Ma, Ji
Komber, Hartmut
Baumgarten, Martin
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Date Issued

2019-07-31

Publisher

AMER CHEMICAL SOC

Published in
Journal Of The American Chemical Society
Volume

141

Issue

30

Start page

12011

End page

12020

Subjects

Chemistry, Multidisciplinary

•

Chemistry

•

graphene nanoribbons

•

aromatic-compounds

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCMD  
Available on Infoscience
August 21, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/160006
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