Metal organic frameworks (MOFs) are three-dimensional networks consisting of metal cations/clusters linked through bridging organic ligands. Containing pores and cavities, such materials have been proposed for gas-storage, separation, sensors, size and shape-selective catalysis, molecular recognition and nanoscale reactors. We aim to combine our existing neutron powder structural data, obtained as a function of CO2 loading in deuterated ZIF-7, with inelastic neutron scattering (from TOSCA), combined with modeling, to reveal the hydroxyl groups in the ligand structure which bind to CO2 guest molecules, through the formation of O=C=O(d-)¿H(d+)-O hydrogen bonds. The role of supramolecular interactions with the C-H atoms in the rings of the framework ligand will also be explored. The results will provide a framework in which to rationalize the potential for ZIF-7 to adsorb/desorb