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Communication

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

Supporting Info

J. Jacob Morris,^† Bruce. C. Noll,^† Arthur J. Schultz,^‡ Paula M. B. Piccoli,^‡ and Kenneth W. Henderson*^†

Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, and Intense Pulsed Neutron Source, Argonne National Laboratory, Argonne, Illinois 60439-4814

Inorg. Chem., 2007, 46 (25), pp 10473–10475

DOI: 10.1021/ic7018082

Publication Date (Web): November 13, 2007

†

University of Notre Dame.

‡

Argonne National Laboratory.

To whom correspondence should be addressed. E-mail: khenders@ nd.edu.

Abstract

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.

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