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
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.
引用
收藏
页码:181 / 184
页数:4
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