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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

Abstract

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.

Authors:
 [1];  [2];  [2];  [1];  [1];  [3];  [3];  [2];  [2];  [2]
  1. Iowa State University
  2. Ames Laboratory
  3. Bruker BioSpin Corporation
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1159292
Report Number(s):
IS-J 8381
Journal ID: ISSN 0947-6539
DOE Contract Number:
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry - A European Journal
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; density functional calculations; dynamic nuclear polarization; metal–organic frameworks; solid-state NMR spectroscopy; X-ray absorption spectroscopy

Citation Formats

Guo, Zhiyong, Kobayashi, Takeshi, Wang, Lin-Lin, Goh, Tian Wei, Xiao, Chaoxian, Caporini, Marc A, Rosay, Melanie, Johnson, Duane D, Pruski, Marek, and Huang, Wenyu. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. United States: N. p., 2014. Web. doi:10.1002/chem.201403884.
Guo, Zhiyong, Kobayashi, Takeshi, Wang, Lin-Lin, Goh, Tian Wei, Xiao, Chaoxian, Caporini, Marc A, Rosay, Melanie, Johnson, Duane D, Pruski, Marek, & Huang, Wenyu. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. United States. doi:10.1002/chem.201403884.
Guo, Zhiyong, Kobayashi, Takeshi, Wang, Lin-Lin, Goh, Tian Wei, Xiao, Chaoxian, Caporini, Marc A, Rosay, Melanie, Johnson, Duane D, Pruski, Marek, and Huang, Wenyu. 2014. "Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy". United States. doi:10.1002/chem.201403884.
@article{osti_1159292,
title = {Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy},
author = {Guo, Zhiyong and Kobayashi, Takeshi and Wang, Lin-Lin and Goh, Tian Wei and Xiao, Chaoxian and Caporini, Marc A and Rosay, Melanie and Johnson, Duane D and Pruski, Marek and Huang, Wenyu},
abstractNote = {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.},
doi = {10.1002/chem.201403884},
journal = {Chemistry - A European Journal},
number = ,
volume = ,
place = {United States},
year = 2014,
month =
}