Ontology highlight
ABSTRACT:
SUBMITTER: Nasalevich MA
PROVIDER: S-EPMC4810359 | biostudies-literature | 2016 Mar
REPOSITORIES: biostudies-literature
Scientific reports 20160329
Metal-organic frameworks (MOFs) containing d(0) metals such as NH2-MIL-125(Ti), NH2-UiO-66(Zr) and NH2-UiO-66(Hf) are among the most studied MOFs for photocatalytic applications. Despite structural similarities, we demonstrate that the electronic properties of these MOFs are markedly different. As revealed by quantum chemistry, EPR measurements and transient absorption spectroscopy, the highest occupied and lowest unoccupied orbitals of NH2-MIL-125(Ti) promote a long lived ligand-to-metal charge ...[more]