A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges

Utilization of the crystalline sponge {[(ZnI2)(3)(tpt)(2)center dot x(solvent)](n)} method has enabled characterization of a novel family of synthetic organic oils. The systematic structural differences and diversity of functional groups offered by 13 related molecular adsorbates provide a detailed quantitative understanding of the relationship between the guest structure, its conformation, and the type of intermolecular interactions adopted with neighbouring guests and the host framework. This analysis is extended to assess the connection of these factors to the resulting quality indicators for a particular molecular structure elucidation.

Automated summary

The utilization of the crystalline sponge method enables the characterization of a novel family of synthetic organic oils. The structural differences and functional group diversity provided by 13 related molecular adsorbates offer a quantitative understanding of the relationship between guest structure, conformation, and intermolecular interactions with neighboring guests and the host framework. This analysis extends to assess the connection between these factors and the quality indicators for molecular structure elucidation.