10.1021/cg501314m.s001 Kajetan Dąbrowa Kajetan Dąbrowa Magdalena Ceborska Magdalena Ceborska Janusz Jurczak Janusz Jurczak Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment American Chemical Society 2014 Trapping stability cluster ATR interplay form crystals arrangement Octameric Water Cluster UC 1 assembly DFT studies supramolecular assemblies efficiency compound London dispersion forces matrix interaction noncovalent Herein Neutral Unclosed Cryptand EnvironmentUnclosed cryptands bond 2014-10-01 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Trapping_of_Octameric_Water_Cluster_by_the_Neutral_Unclosed_Cryptand_Environment/2250727 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.