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非并苯的表面脱氢生成。

Nonacene Generated by On-Surface Dehydrogenation.

机构信息

Centre for Nanometer-Scale Science and Advanced Materials, NANOSAM, Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University , Łojasiewicza 11, PL 30-348 Krakow, Poland.

Institute of Chemical Research of Catalonia (ICIQ), Barcelona Institute of Science and Technology , Avenida Països Catalans 16, 43007 Tarragona, Spain.

出版信息

ACS Nano. 2017 Sep 26;11(9):9321-9329. doi: 10.1021/acsnano.7b04728. Epub 2017 Aug 22.

Abstract

The on-surface synthesis of nonacene has been accomplished by dehydrogenation of an air-stable partially saturated precursor, which could be aromatized by using a combined scanning tunneling and atomic force microscope as well as by on-surface annealing. This transformation allowed the in-detail analysis of the electronic properties of nonacene molecules physisorbed on Au(111) by scanning tunneling spectroscopy measurements. The spatial mapping of molecular orbitals was corroborated by density functional theory calculations. Furthermore, the thermally induced dehydrogenation uncovered the isomerization of intermediate dihydrononacene species, which allowed for their in-depth structural and electronic characterization.

摘要

通过对空气稳定的部分不饱和前体进行脱氢反应,实现了并五苯的表面合成,该前体可以通过扫描隧道显微镜和原子力显微镜的组合以及表面退火进行芳构化。这种转变使得通过扫描隧道光谱测量对物理吸附在 Au(111)上的并五苯分子的电子性质进行详细分析成为可能。分子轨道的空间映射得到了密度泛函理论计算的证实。此外,热诱导脱氢揭示了中间二氢并五苯物种的异构化,从而对其进行了深入的结构和电子表征。

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