School of Science, Monmouth University, 400 Cedar, West Long Branch, NJ 07764, USA.
Chem Commun (Camb). 2019 Mar 21;55(25):3650-3653. doi: 10.1039/c9cc01234f.
Nano-Saturn complexes with a planar horizontal ring can be constructed by selective nitrogen substitution into the ortho-positions in polyaryl macrocycles. A number of intriguing supermolecular complexes can be created with these planar or ribbon macrocycles, including nano-Saturns with a flat ring, nano-Saturns with an encircling belt, and nanotubes encircled by belts or rings. These systems are investigated using DFT (B3LYP-D3/6-31G(d)), which predicts their structures and finds them to have significant binding enthalpies.
通过在多芳基大环的邻位选择性氮取代，可以构建具有平面水平环的纳米土星配合物。通过这些平面或带状大环，可以创建许多有趣的超分子配合物，包括带有平环的纳米土星、带有环绕带的纳米土星以及被带或环环绕的纳米管。这些系统使用 DFT（B3LYP-D3/6-31G(d)）进行了研究，该方法预测了它们的结构并发现它们具有显著的结合焓。
