Robust Microporous Molecular Frameworks Which Retain Structural Integrity Upon Template Loss

Retention of the void space upon loss of the solvent template is directly demonstrated using single-crystal X-ray diffraction for molecular frameworks constructed using both hydrogen and co-ordinate bonds. While the co-ordination polymer remains rigid upon desolvation, the extra flexibility in the hydrogen-bonded framework, due both to the large number of redundant hydrogen-bonding donor and acceptor groups and the possibility of significant φ-φ stacking interactions within the framework, lead to a significant structural and symmetry change while retaining significant void volume. Molecular modelling techniques are used to understand and predict the guest uptake chemistry of these host frameworks.