A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster

During solvothermal alcoholysis of a mixture of TiI4 and Ti­(OiPr)4, a {I@Ti22} cage cluster encapsulating an OH and iodide guests is crystallized. The {I@Ti22} host–guest cluster surface is postfunctionalizable with catecholate and carboxylate ligands. The synthetic details, structural characterization, spectroscopic properties of the obtained cages clusters are provided. The present study provides candidates for modeling ligand exchange and electron-hole transfer at the titanate nanoparticle surface, and meanwhile offers new opportunities for understanding the TiO2 nanocrystalline formation in solvothermal processes.