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 interactionshydrogen bonds and London dispersion
forces.