Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

Unclosed cryptands (UCs) are neutral
and easily accessible compounds
with precisely defined spatial arrangement of various functional groups.
They readily form crystals with a unusually high packing efficiency
(≥0.8), thus providing a well-suited 3D-framework for study
of supramolecular assemblies. Herein, one example of the discrete
eight-membered water cluster trapped in the matrix of UC 1 is presented.
X-ray, ATR FT-IR, and DFT studies indicate extraordinary stability
of this assembly, which originated from the cumulative interplay of
many noncovalent interactionshydrogen bonds and London dispersion
forces.