Direct observation of adsorbed H2-framework interactions in the Prussian Blue analogue MnII3[CoIII(CN)6]2: The relative importance of accessible coordination sites and van der Waals interactions

Abstract

Selective recovery of the guest–framework interactions for H₂ adsorbed in a nanoporous Prussian Blue analogue, through differential X-ray and neutron pair distribution function analysis at ca. 77 K, suggests that the H₂ molecule is disordered about a single position at the centre of the pore, (¼,¼,¼), without binding at accessible Mn^II sites.