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

TitleSelective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy
Publication TypeJournal Article
Year of Publication2014
AuthorsGuo, ZY, Kobayashi, T, Wang, LL, Goh, TW, Xiao, CX, Caporini, MA, Rosay, M, Johnson, DD, Pruski, M, Huang, WK
JournalChemistry-a European Journal
Volume20
Pagination16308-16313
Date Published12
Type of ArticleArticle
ISBN Number0947-6539
Accession NumberWOS:000345515700037
Keywordsadsorption, artemis, athena, capture, catalysis, cisplatin, density functional calculations, drug-delivery, dynamic nuclear polarization, ifeffit, metal-organic frameworks, solid-state NMR spectroscopy, Spectroscopy, total-energy calculations, wave basis-set, X-ray absorption
Abstract

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 N-15{H-1} 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.

DOI10.1002/chem.201403884
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3D Catalysis

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LDRD

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