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


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.

SUBMITTER: Sanna E 

PROVIDER: S-EPMC5505123 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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

Sanna Elena E   Escudero-Adán Eduardo C EC   Bauzá Antonio A   Ballester Pablo P   Frontera Antonio A   Rotger Carmen C   Costa Antonio A  

Chemical science 20150714 10


A crystalline porous material showing one-dimensional (1-D) rectangular micropores (12 × 9 Å<sup>2</sup>) 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 temp  ...[more]

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