The development of new porous MOFs is receiving considerable attention worldwide owing to their potential for gas storage, separation, and purification. We seek to develop a highly novel ammonia storage system and request 11 days on TOSCA to study the binding interaction between adsorbed ammonia molecules (NH3) and two functional porous MOF materials [NOTT-300(Al) and NOTT-300(V)] as a function of NH3 loading. This proposed study will investigate the vibrational properties exhibited by both adsorbed gas substrates and the porous hosts. These two MOFs exhibit surprisingly high storage capacity for ammonia at ambient conditions (15.2 mmol/g), suggesting the presence of specific guest-host interaction with the respect to the functional groups on the pore surface. The proposed study aims to reveal the nature of the ammonia uptakes by analysing their vibrational/rotational spectra.