A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
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| Authors: | Elena Sanna Eduardo C. Escudero-Adán Antonio Bauzá Pablo Ballester Antonio Frontera Carmen Rotger Antonio Costa |
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| Affiliation: | a Departament de Química , Universitat de les Illes Balears , Palma , 07122 , Spain . Email: ; Fax: +34 971 172436 ; Tel: +34 971 173266 ; b Institut of Chemical Research of Catalonia (ICIQ) , Avda. Països Catalans 16 , 43007 Tarragona , Spain ; c Catalan Institution for Research and Advanced Studies (ICREA) , Passeig Lluis Companys 23 , 08010 , Barcelona , Spain |
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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. |
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