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Synthesis of Single-Layer Two-Dimensional Metal-Organic Frameworks M 3 (HAT) 2 (M=Ni, Fe, Co, HAT=1,4,5,8,9,12-hexaazatriphenylene) Using an On-Surface Reaction.

Cheng-Kun LyuYi-Fan GaoZi-Ang GaoSong-Yu MoMu-Qing HuaEn LiShu-Qing FuJia-Yan ChenPei-Nian LiuLi HuangNian Lin
Published in: Angewandte Chemie (International ed. in English) (2022)
1,4,5,8,9,12-Hexaazatriphenylene (HAT) is one of the smallest polyheterocyclic aromatic building blocks for forming conjugated metal-organic frameworks (cMOFs). However, the strong inter-molecular steric hindrance impedes the growth of HAT-based cMOFs. Here we employ on-surface synthesis to grow single-layer two-dimensional cMOFs of M 3 (HAT) 2 (M=Ni, Fe, Co). Using scanning tunnelling microscopy and density-functional theory (DFT) analysis, we resolve that the frameworks comprise a hexagonal lattice of HAT molecules and a Kagome lattice of metal atoms. The DFT analysis indicates that Ni, Co and Fe carry a magnetic moment of 1.1, 2.5, and 3.7 μB, respectively. We anticipate that the small π-conjugated core of HAT and strong bidentate chelating coordination give rise to appealing electronic and magnetic properties.
Keyphrases
  • metal organic framework
  • density functional theory
  • molecular dynamics
  • high resolution
  • single molecule
  • molecular docking
  • molecularly imprinted
  • high throughput
  • optical coherence tomography