Adsorption and Diffusion of Hydrogen Molecule in Crystals of Metal Coordination Complexes

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For utilizing hydrogen gas as a clean energy, hydrogen gas must be stored as a condensed phase under moderate pressure and at temperatures not so far from room temperature. Adsorption of the hydrogen molecule in porous metal coordination compounds is a good candidate. However, basic molecular mechanism of the adsorption phenomena is not clear. In this research project, we have clarified hydrogen adsorbed structures, quantum effects on the hydrogen motion, mechanism of diffusion of hydrogen into deformable metal-coordination crystals and chiral-channel structured crystals, etc. Adsorbed state of CO2 molecules near room temperatures was also investigated.