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.

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