期刊
ACS NANO
卷 9, 期 3, 页码 2574-2583出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn505876n
关键词
intermolecular interaction; chemical structure; F-F contact; halogen bonding; atomic force microscopy
类别
资金
- Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) for the project Molecular technology and creation of new function
- Swiss National Science Foundation
- NCCR Nanoscale Science of the Swiss National Science Foundation
- Ministry of Education, Culture, Sports, Science and Technology, Japan
- Japan Society for the Promotion of Science (JSPS) through its Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program)
- Okayama Prefecture Industrial Promotion Foundation
Halogen bonding is a noncovalent interaction where an electrophilittavon a halogen atom, the so-called sigma-hole, attracts a nucleophilic site on an adjacent molecule. The polarizability of halogens relates to the strength of the sigma-hole, and accordingly the halogen halogen distance becomes shorter in the order of Cl, Br, and I. Fully fluoro-substituted aromatic molecules, on the contrary, are generally believed not to form halogen,bonds due to the absence of a sigma-hole. Here, we study atomic-scale in-plane F-F Contacts with high-resolution force microscopy. Our ab initio calculations show that the attractive dispersion forces can overcome the electrostatic repulsion between the fluorine atoms, While the anisotropic distribution of the negative electrostatic potential leads the directional bond and even changes the gap. The coexistence of these two competing forces results in the formation of a windmill structure, containing three C-F center dot center dot center dot F bonds among neighboring molecules. While the sigma-hole is absent, the scheme,Of the C-F center dot center dot center dot F bonding has a high similarity to halogen bonding.
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