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

Journal Article · Wed Oct 08 00:00:00 EDT 2014 · Chemistry - A European Journal

DOI:https://doi.org/10.1002/chem.201403884· OSTI ID:1159292

Guo, Zhiyong ^[1]; Kobayashi, Takeshi ^[2]; Wang, Lin-Lin ^[2]; Goh, Tian Wei ^[1]; Xiao, Chaoxian ^[1]; Caporini, Marc A ^[3]; Rosay, Melanie ^[3]; Johnson, Duane D ^[2]; Pruski, Marek ^[2]; Huang, Wenyu ^[2]

---

1. Iowa State University
2. Ames Laboratory
3. Bruker BioSpin Corporation

The host–guest interaction between metal ions (Pt²⁺ and Cu²⁺) 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 Pt²⁺ coordinates with two NH2 groups from the MOF and two Cl^- from the metal precursor, whereas Cu²⁺ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt²⁺ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC02-07CH11358
• OSTI ID: 1159292
• Report Number(s): IS-J 8381
• Journal Information: Chemistry - A European Journal, Journal Name: Chemistry - A European Journal; ISSN 0947-6539
• Publisher: ChemPubSoc Europe
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
density functional calculations
dynamic nuclear polarization
metal–organic frameworks
solid-state NMR spectroscopy
X-ray absorption spectroscopy