X-ray and Neutron Diffraction Studies of Water-Encapsulated inside Potassium Aryloxide Aggregates: Complementary Host−Guest Stabilization of Mono- and Dihydrated Cages

The controlled hydrolysis of potassium 2-tert-butylphenoxide or
2-isopropylphenoxide leads to the unexpected encapsulation of
the water inside K6O6 hexameric drum aggregates. Encapsulation
of the neutral molecules is enabled in these instances through
the formation of strong hydrogen bonds and dative interactions
between the host and guest.