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Title: Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

The host–guest interaction between metal ions (Pt 2+ and Cu 2+) and a zirconium metal–organic framework (UiO-66-NH2) was explored using dynamic nuclear polarization-enhanced 15N{1H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt 2+ coordinates with two NH2 groups from the MOF and two Cl - from the metal precursor, whereas Cu 2+ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt 2+ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.
 [1] ;  [2] ;  [2] ;  [1] ;  [1] ;  [3] ;  [3] ;  [2] ;  [2] ;  [2]
  1. Iowa State University
  2. Ames Laboratory
  3. Bruker BioSpin Corporation
Publication Date:
OSTI Identifier:
Report Number(s):
IS-J 8381
Journal ID: ISSN 0947-6539
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry - A European Journal
ChemPubSoc Europe
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
36 MATERIALS SCIENCE density functional calculations; dynamic nuclear polarization; metal–organic frameworks; solid-state NMR spectroscopy; X-ray absorption spectroscopy