Pore Size Engineering of MOFs by Pore Edge Reaction: Tetrazine Click and Hydrogen Adsorption in Theory and Experiment - replication data

This dataset supports the manuscript titled "Pore Size Engineering of MOFs by Pore Edge Reaction: Tetrazine Click and Hydrogen Adsorption in Theory and Experiment". It contains replication data for experimental N2, CO2, H2 and D2 sorption studies. Included are Adsorption Information Files (AIFs) for experimental adsorption–desorption isotherms and MOF structures used in GCMC simulations (cif files). Dataset contains also UV-vis-NIR spectra for MOF samples (txt) and SEM images (tif), FT-IR (csv) and NMR (txt) files for all samples. Detailed file descriptions and instructions are provided in the accompanying 00_README.txt.