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Real-Space Investigation of the Multiple Halogen Bonds by Ultrahigh-Resolution Scanning Probe Microscopy
Small ( IF 13.0 ) Pub Date : 2022-06-19 , DOI: 10.1002/smll.202202368
Dingguan Wang 1 , Zishen Wang 1 , Wei Liu 2 , Arramel 1 , Siying Zhong 1 , Yuan Ping Feng 1 , Kian Ping Loh 3 , Andrew Thye Shen Wee 1
Affiliation  

The chemical bond is of central interest in chemistry, and it is of significance to study the nature of intermolecular bonds in real-space. Herein, non-contact atomic force microscopy (nc-AFM) and low-temperature scanning tunneling microscopy (LT-STM) are employed to acquire real-space atomic information of molecular clusters, i.e., monomer, dimer, trimer, tetramer, formed on Au(111). The formation of the various molecular clusters is due to the diversity of halogen bonds. DFT calculation also suggests the formation of three distinct halogen bonds among the molecular clusters, which originates from the noncovalent interactions of Br-atoms with the positive potential H-atoms, neutral potential Br-atoms, and negative potential N-atoms, respectively. This work demonstrates the real-space investigation of the multiple halogen bonds by nc-AFM/LT-STM, indicating the potential use of this technique to study other intermolecular bonds and to understand complex supramolecular assemblies at the atomic/sub-molecular level.

中文翻译:

通过超高分辨率扫描探针显微镜对多个卤素键进行实空间研究

化学键是化学中的核心问题,研究现实空间中分子间键的性质具有重要意义。在此,非接触式原子力显微镜(nc-AFM)和低温扫描隧道显微镜(LT-STM)被用来获取分子簇的真实空间原子信息,即单体、二聚体、三聚体、四聚体,形成于金(111)。各种分子簇的形成是由于卤素键的多样性。DFT 计算还表明分子簇之间形成了三个不同的卤素键,这源于 Br 原子分别与正电位 H 原子、中性电位 Br 原子和负电位 N 原子的非共价相互作用。这项工作展示了 nc-AFM/LT-STM 对多个卤素键的真实空间研究,
更新日期:2022-06-19
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