Fjord-Edge Graphene Nanoribbons with Site-Specific Nitrogen Substitution
Fjord-Edge Graphene Nanoribbons with Site-Specific Nitrogen Substitution
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DOI：
10.1021/jacs.0c07657
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发表时间：
2020-10-21
影响因子：
15
通讯作者：
Rubin, Yves
中科院分区：
文献类型：
--
作者：
Li, Yolanda L.;Zee, Chih-Te;Rubin, Yves
石墨烯纳米带（GNR）的合成含有位点特异性取代的骨架杂原子是必须实现的基本目标之一，以便控制这些下一代有机材料的电子性质。我们利用我们最近报道的固态拓扑化学聚合/环化-芳构化策略将简单的1，4-双（3-吡啶基）丁二烯3a、B转化为峡湾边氮掺杂的石墨烯纳米载体结构1a、B（峡湾边N-2[8] GNR）。通过CP/MAS C-13 NMR、拉曼和XPS光谱确认结构归属。Fjord-edge N2[8]GNRs 1a，B是制备新型骨架氮取代的N-2[8]（A）GNRs 2a，B的有希望的前体。对N-2[8]（A）GNR 2c的几何和能带计算表明，这类纳米带应该具有不寻常的成键拓扑结构和金属性。
The synthesis of graphene nanoribbons (GNRs) that contain site-specifically substituted backbone heteroatoms is one of the essential goals that must be achieved in order to control the electronic properties of these next generation organic materials. We have exploited our recently reported solid-state topochemical polymerization/cyclization-aromatization strategy to convert the simple 1,4-bis(3-pyridyl)butadiynes 3a,b into the fjord-edge nitrogen-doped graphene nanoribbon structures 1a,b (fjord-edge N-2[8]GNRs). Structural assignments are confirmed by CP/MAS C-13 NMR, Raman, and XPS spectroscopy. The fjord-edge N2[8]GNRs 1a,b are promising precursors for the novel backbone nitrogen-substituted N-2[8](A)GNRs 2a,b. Geometry and band calculations on N-2[8](A)GNR 2c indicate that this class of nanoribbons should have unusual bonding topology and metallicity.