Size Effect of Encaged Clusters on the Exohedral Chemistry of Endohedral Fullerenes: A Case Study on the Pyrrolidino Reaction of Sc<i>_x</i>Gd_3-<i>_x</i>N@C₈₀ (<i>x</i> = 0−3)

Abstract

We report a combined experimental and theoretical investigation on the regiochemistry of a series of TNT endohedral fullerenes ScxGd3-xN@C80 (x = 0−3) in 1,3-dipolar cycloadditions, which demonstrates that the regioselectivity of the TNT-based endohedral fullerenes ScxGd3-xN@C80 (x = 0−3) in the exohedral cycloadditions depends remarkably on the size of the encaged cluster.