Regioselective Functionalization of the Mesoporous Metal–Organic Framework, NU-1000, with Photo-Active Tris-(2,2′-bipyridine)ruthenium(II)

[Image: see text] Solvent-assisted ligand incorporation is an excellent method for the post-synthetic functionalization of Zr-based metal–organic frameworks (MOFs), as carboxylate-derivative functionalities readily coordinate to the Zr(6) nodes by displacing node-based aqua and terminal hydroxo ligands. In this study, a photocatalytically active ruthenium complex Ru(II)(bpy)(2)(dcbpy), that is, bis-(2,2′-bipyridine)-(4,4′-dicarboxy-2,2′-bipyridine)ruthenium, was installed in the mono-protonated (carboxylic acid) form within NU-1000 via SALI. Crystallographic information regarding the siting of the ruthenium complex within the MOF pores is obtained by difference envelope density analysis. The ruthenium-functionalized MOF, termed Ru-NU-1000, shows excellent heterogeneous photocatalytic activity for an oxidative amine coupling reaction.