Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes

Abstract

Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)]n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality.

Keywords

• crystalline sponges
• statistical design of experiments
• metal–organic frameworks
• single-crystal x-ray diffraction
• scxrd