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 (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 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.affiliation: Department of Chemistry, Iowa State University, Ames, Iowa 50011 (USA).
authors.forename: Zhiyong
authors.initials: Z
authors.lastname: Guo
authors.forename: Takeshi
authors.initials: T
authors.lastname: Kobayashi
authors.forename: Lin-Lin
authors.initials: LL
authors.lastname: Wang
authors.forename: Tian Wei
authors.initials: TW
authors.lastname: Goh
authors.forename: Chaoxian
authors.initials: C
authors.lastname: Xiao
authors.forename: Marc A
authors.initials: MA
authors.lastname: Caporini
authors.forename: Melanie
authors.initials: M
authors.lastname: Rosay
authors.forename: Duane D
authors.initials: DD
authors.lastname: Johnson
authors.forename: Marek
authors.initials: M
authors.lastname: Pruski
authors.forename: Wenyu
authors.initials: W
authors.lastname: Huang
mesh_terms: D003300:Copper / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*; D010984:Platinum / Q000737:chemistry*; D056928:X-Ray Absorption Spectroscopy; D015040:Zirconium / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D010984:Platinum; D003300:Copper; D015040:Zirconium
keywords: X-ray absorption spectroscopy; density functional calculations; dynamic nuclear polarization; metal-organic frameworks; solid-state NMR spectroscopy