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The encapsulation of neutral guest has been studied for calix[4]arene (C4A) by forming van der Waals clusters with Ar and Ne in supersonic jets. The electronic transitions of these clusters suggest that the first Ar (Ne) is encapsulated inside the C4A cavity, while the next atoms are bound outside.

Electronic spectra of jet-cooled calix[4]arene and its van der Waals clusters: Encapsulation of a neutral atom in a molecular bowl