Chemical Stabilization of [4]Cycloparaphenylene via Encapsulation of Alkaline-earth Metals#

被引：0
|
作者：
Pichierri, FabIO [1 ]
机构：
[1] Tohoku Univ, Sch Engn, Sendai, Miyagi 9808579, Japan
来源：
CHEMISTRY LETTERS | 2023年 / 52卷 / 03期
关键词：
Nanohoops; Ring strain; Charge transfer; MOLECULAR-STRUCTURE; ELECTRON-DENSITY; BASIS-SETS; CYCLOPARAPHENYLENES; RING;
D O I：
10.1246/cl.220524
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The highly-strained [4]cycloparaphenylene or [4]CPP can be chemically stabilized upon inclusion of an alkaline-earth metal atom. A topological analysis of the electronic charge densities of M@[4]CPP (M = Ca-Ba) indicates that the encapsulated metal is positively charged while the carbon nanohoop is reduced. The use of such metals represents a possible strategy in the synthesis of [4]CPP.
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页码：181 / 184
页数：4
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