title: Intercalation of Coordinatively Unsaturated Fe(III) Ion within Interpenetrated Metal-Organic Framework MOF-5.
abstract: Coordinatively unsaturated Fe(III) metal sites were successfully incorporated into the iconic MOF-5 framework. This new structure, Fe(III) -iMOF-5, is the first example of an interpenetrated MOF linked through intercalated metal ions. Structural characterization was performed with single-crystal and powder XRD, followed by extensive analysis by spectroscopic methods and solid-state NMR, which reveals the paramagnetic ion through its interaction with the framework. EPR and Mössbauer spectroscopy confirmed that the intercalated ions were indeed Fe(III) , whereas DFT calculations were employed to ascertain the unique pentacoordinate architecture around the Fe(III) ion. Interestingly, this is also the first crystallographic evidence of pentacoordinate Zn(II) within the MOF-5 SBU. This new MOF structure displays the potential for metal-site addition as a framework connector, thus creating further opportunity for the innovative development of new MOF materials.
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada.
authors.forename: Rebecca J
authors.initials: RJ
authors.lastname: Holmberg
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada.
authors.forename: Thomas
authors.initials: T
authors.lastname: Burns
authors.affiliation: Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida, 32306, USA.|National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida, 32310, USA.
authors.forename: Samuel M
authors.initials: SM
authors.lastname: Greer
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada.
authors.forename: Libor
authors.initials: L
authors.lastname: Kobera
authors.affiliation: National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida, 32310, USA.
authors.forename: Sebastian A
authors.initials: SA
authors.lastname: Stoian
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada.
authors.forename: Ilia
authors.initials: I
authors.lastname: Korobkov
authors.affiliation: National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida, 32310, USA.|Department of Physics, Florida State University, Tallahassee, Florida, 32306, USA.
authors.forename: Stephen
authors.identifier: 0000-0001-6742-3620
authors.initials: S
authors.lastname: Hill
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada.
authors.forename: David L
authors.initials: DL
authors.lastname: Bryce
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada. twoo@uottawa.ca.
authors.forename: Tom K
authors.initials: TK
authors.lastname: Woo
authors.affiliation: Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N 6N5, Canada. m.murugesu@uottawa.ca.
authors.forename: Muralee
authors.identifier: 0000-0002-5123-374X
authors.initials: M
authors.lastname: Murugesu
keywords: MOF-5; coordinatively unsaturated; iron; metal-ion addition; metal-organic framework