Insertion of Helium and Molecular Hydrogen Through the Orifice of an Open Fullerene

A “molecular surgery” approach has been used to create an opening within a fullerene cage that is large enough to allow atoms and small molecules to pass through. The thermodynamics for the insertion of He and H2 into the open fullerene (left and right pictures, respectively) as well as their escape have been studied by NMR spectroscopy and theoretical methods.