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Issue 10, 2015
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A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

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Abstract

A crystalline porous material showing one-dimensional (1-D) rectangular micropores (12 × 9 Å2) has been assembled from a semirigid macrocyclic tetraimine and EtOAc as the templating agent. The 1-D nature of the material is intrinsic to the conformationally rigid structure of a macrocyclic sub-unit bearing four cyclohexylidene residues. The multiple dispersive forces established among the aliphatic residues glutted the 1-D channels and provided thermal stability to the material at temperatures below 160 °C. Upon removal of the template, the structure of the empty solid exhibited permanent microporosity (SBET = 342 m2 g−1). Being a true molecular sponge, the channel framework of this material allowed the inclusion of a variety of molecular sample guests without compromising its crystalline nature. Remarkably, this crystalline material enabled the structure determination by X-ray diffraction of the included molecules. Theoretical studies demonstrated the vital role played by the dispersive forces in the overall stabilization of the crystal packing.

Graphical abstract: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

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Submitted
21 May 2015
Accepted
13 Jul 2015
First published
14 Jul 2015

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2015,6, 5466-5472
Article type
Edge Article
Author version available

A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

E. Sanna, E. C. Escudero-Adán, A. Bauzá, P. Ballester, A. Frontera, C. Rotger and A. Costa, Chem. Sci., 2015, 6, 5466
DOI: 10.1039/C5SC01838B

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