Challenges in the synthesis of corannulene-based non-planar nanographenes on the Au(111) surfaces
Challenges in the synthesis of corannulene-based non-planar nanographenes on the Au(111) surfaces
复制标题
在 Au(111) 表面合成基于 Corannulene 的非平面纳米石墨烯的挑战
DOI：
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发表时间：
2022
期刊：
影响因子：
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通讯作者：
D. G. de Oteyza
中科院分区：
文献类型：
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作者：
Tao Wang;J. Lawrence;Naoya Sumi;R. Robles;J. Castro;Dulce Rey;Mohammed S G Mohammed;A. Berdonces‐Layunta;N. Lorente;D. Pérez;D. Peña;M. Corso;D. G. de Oteyza
在表面上合成非平面纳米石墨烯是一项具有挑战性的任务。在此，借助键分辨扫描隧道显微镜（BRSTM）和密度泛函理论（DFT）计算，我们提出了一项系统研究，旨在通过Au（111）表面上的分子内环化脱氢来制造基于corannulene的纳米石墨烯。与平面/准平面的不需要的竞争单体产物的形成相比，非平面目标产物的形成被证实在能量上是不利的。此外，分子间偶联的激活进一步抑制最终目标产物的形成。尽管不可能通过表面合成的方式获得球烯部分，但证明了分子前体的部分环化脱氢。
The synthesis of non-planar nanographenes on surfaces is a challenging task. Herein, with the aid of bond-resolving scanning tunneling microscopy (BRSTM) and density functional theory (DFT) calculations, we present a systematic study aiming at the fabrication of corannulene-based nanographenes via intramolecular cyclodehydrogenations on a Au(111) surface. The formation of the non-planar targeted products is confirmed to be energetically unfavored compared to the formaiton of planar/quasi-planar undesired competing monomer products. In addition, the activation of intermolecular coupling furhter inhibits formation of the final targeted product. Although it was not possible to access the corannulene moiety by means of on-surface synthesis, partial cyclodehydrogenation of the molecular precursors was demonstrated.