当前位置: X-MOL 学术Phys. Chem. Chem. Phys. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Local and global aromaticity in a molecular carbon nanobelt: insights from magnetic response properties in neutral and charged species†
Physical Chemistry Chemical Physics ( IF 3.3 ) Pub Date : 2018-01-08 00:00:00 , DOI: 10.1039/c7cp08323h
A. Muñoz-Castro 1, 2, 3, 4, 5
Affiliation  

The formation of carbon nanobelt made exclusively from fused benzene rings has recently been achieved. Our results reveal an interesting shift from a local aromatic character constrained in each of the six aromatic Clar sextets (6π-electron circuit) to a global aromatic character in charged species (+2 and −2) involving the overall π-circuit from the molecular nanobelt. This demonstrates the suppression of the local aromatic character in favor of a global aromaticity by selecting the oxidation state of the carbon nanobelt, giving rise to a shielding cone extended within the structure.

中文翻译:

分子碳纳米带中的局部和全局芳香性:中性和带电物种的磁响应特性的见解

最近已经实现了仅由稠合苯环制成的碳纳米带的形成。我们的结果揭示了一个有趣的变化,即从六个芳香族克拉尔六重音(6π电子电路)中的每一个受局限的局部芳香性变化到带电物种(+2和-2)中的全局芳香性(涉及分子的整体π电路)纳米带。这表明通过选择碳纳米带的氧化态抑制了局部芳香性,有利于整体芳香性,从而产生了在结构内延伸的屏蔽锥。
更新日期:2018-01-08
down
wechat
bug