Abstract

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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