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Real-space characterization of hydroxyphenyl porphyrin derivatives designed for single-molecule devices

机译：专为单分子器件设计的羟苯基卟啉衍生物的真实空间表征

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Porphyrin derivatives are potential candidates as constituents of functional molecular devices because their electronic levels can be rationally manipulated by chemical modification. In this work, we deposit a porphyrin molecule with a hydroxyphenyl side group on Au(111), which is designed and synthesized as a basic unit for functional single molecule devices, and observe the bonding structure and electronic states with scanning tunneling microscopy (STM). The molecule changes configuration from a monomer to a cluster to a monolayer as the coverage increases, ruled by the H-bonding interaction through the hydroxyphenyl group and the steric repulsion by the isopentoxy groups. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) localized in the porphyrin macrocycle are observed at -1.1 and +1.1 eV, respectively, with respect to the Fermi level. We also deposit a para-phenylene-bridged porphyrin array on the surface using the electrospray method, and observe the local density of states along the array.
机译：卟啉衍生物是潜在的候选功能分子装置的组成部分，因为可以通过化学修饰合理地控制其电子水平。在这项工作中，我们将具有羟基苯基侧基的卟啉分子沉积在Au（111）上，该卟啉分子被设计并合成为功能性单分子器件的基本单元，并通过扫描隧道显微镜（STM）观察键结构和电子态。随着覆盖率的增加，该分子从单体到团簇再到单分子层改变构型，这取决于通过羟苯基的氢键相互作用和异戊氧基的空间排斥。相对于费米能级，分别在-1.1和+1.1 eV处观察到了卟啉大环中最高的占据分子轨道（HOMO）和最低的未占据分子轨道（LUMO）。我们还使用电喷雾方法在表面上沉积了对亚苯基桥连的卟啉阵列，并观察了沿阵列状态的局部密度。

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