cg501314m_si_001.pdf (3.04 MB)

Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

Download (3.04 MB)
journal contribution
posted on 01.10.2014, 00:00 by Kajetan Dąbrowa, Magdalena Ceborska, Janusz Jurczak
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.