Topological defect-induced magnetism in a nanographene,Journal of the American Chemical Society

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Topological defect-induced magnetism in a nanographene
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-01-06 , DOI: 10.1021/jacs.9b09212
Shantanu Mishra ₁ , Doreen Beyer ₂ , Reinhard Berger ₂ , Junzhi Liu ₂ , Oliver Gröning ₁ , José I Urgel ₁ , Klaus Müllen ₃ , Pascal Ruffieux ₁ , Xinliang Feng ₂ , Roman Fasel _{1,

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Affiliation

The on-surface reactions of 10-bromo-10'-(2,6-dimethylphenyl)-9,9'-bianthracene on Au(111) have been investigated by scanning tunneling microscopy and spectroscopy, complemented by theoretical calculations. The reactions afford synthesis of two open-shell nanographenes (1a and 1b) exhibiting different scenarios of all-carbon magnetism. 1a, an all-benzenoid nanographene with triangulene-like termini, contains a high proportion of zigzag edges which endows it with a low frontier gap and edge-localized states. The dominant reaction product (1b) is a non-benzenoid nanographene consisting of a single pentagonal ring in a benzenoid framework. The presence of this non-benzenoid topological defect, which alters the bond connectivity in the hexagonal lattice, results in a non-Kekulé nanographene with an unpaired spin, which is detected as a Kondo resonance.

中文翻译：

纳米石墨烯中的拓扑缺陷诱导磁性

10-溴-10'-(2,6-二甲基苯基)-9,9'-联蒽在 Au(111) 上的表面反应已通过扫描隧道显微镜和光谱学进行了研究，并辅以理论计算。这些反应合成了两种开壳纳米石墨烯（1a 和 1b），表现出不同的全碳磁性情况。图 1a 是一种具有类似三角烯的末端的全苯类纳米石墨烯，包含高比例的锯齿形边缘，使其具有较低的前沿间隙和边缘局部状态。主要的反应产物 (1b) 是一种非苯类纳米石墨烯，由苯类骨架中的单个五边形环组成。这种非苯型拓扑缺陷的存在改变了六方晶格中的键连接性，导致具有不成对自旋的非凯库勒纳米石墨烯，

更新日期：2020-01-06

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