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Selective Host–Guest Interaction between Metal Ions and Metal–Organic Frameworks Using Dynamic Nuclear Polarization Enhanced Solid‐State NMR Spectroscopy
Author(s) -
Guo Zhiyong,
Kobayashi Takeshi,
Wang LinLin,
Goh Tian Wei,
Xiao Chaoxian,
Caporini Marc A.,
Rosay Melanie,
Johnson Duane D.,
Pruski Marek,
Huang Wenyu
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201403884
Subject(s) - metal organic framework , spectroscopy , nuclear magnetic resonance spectroscopy , chemistry , metal , polarization (electrochemistry) , density functional theory , octahedron , crystallography , zirconium , x ray absorption spectroscopy , ion , solid state nuclear magnetic resonance , absorption spectroscopy , inorganic chemistry , computational chemistry , nuclear magnetic resonance , stereochemistry , crystal structure , organic chemistry , adsorption , physics , quantum mechanics
The host–guest interaction between metal ions (Pt 2+ and Cu 2+ ) and a zirconium metal–organic framework (UiO‐66‐NH 2 ) was explored using dynamic nuclear polarization‐enhanced 15 N{ 1 H} 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 NH 2 groups from the MOF and two Cl − from the metal precursor, whereas Cu 2+ do not form chemical bonds with the NH 2 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.