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Encapsulated Guests in the Smallest Spaces: Shrinking Guests by Compression and Investigations under Solvent-Free Conditions
journal contribution
posted on 2015-08-21, 00:00 authored by Gebhard Haberhauer, Sascha Woitschetzki, Christof FütenNoncovalent interactions play a pivotal
role in a variety of biological
and chemical processes. The experimental determination and quantum
chemical calculations of the forces driving these interactions are
of utmost importance. Of special interest are interactions of molecules
in small spaces which show phenomena different from conventional behavior
in solution. An extension is the encapsulation of guests in smallest
spaces: The guests are too large to be included under standard conditions
and hence must be forced to intrude into the cavity. Here, we show
the design of such a host–guest system which allows to directly
compare the measured thermodynamic values to gas-phase quantum chemical
calculations. Structural investigation of the complexes reveals that
the encapsulation process causes not only an extension of the hollow
space of the host but also a shrinking of the included guest by compression.