title: CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.
abstract: The novel homochiral metal-organic framework CFA-1 (Coordination Framework Augsburg-1), [Zn5(OAc)4(bibta)3], containing the achiral linker {H2-bibta = 1H,1'H-5,5'-bibenzo[d][1,2,3]triazole}, has been synthesised. The reaction of H2-bibta and Zn(OAc)2·2H2O in N-methylformamide (NMF) (90 °C, 3 d) yields CFA-1 as trigonal prismatic single crystals. CFA-1 serves as a convenient precursor for the synthesis of isostructural frameworks with redox-active metal centres, which is demonstrated by the postsynthetic exchange of Zn(2+) by Co(2+) ions. The framework is robust to solvent removal and has been structurally characterized by synchrotron single-crystal X-ray diffraction and solid state NMR measurements ((13)C MAS- and (1)H MAS-NMR at 10 kHz). Results from MAS-NMR and IR spectroscopy studies are corroborated by cluster and periodic DFT calculations performed on CFA-1 cluster fragments.
authors.affiliation: Institute of Physics, Chair of Solid State and Materials Science, Augsburg University, Universitaetsstrasse 1, 86159 Augsburg, Germany.
authors.forename: Phillip
authors.initials: P
authors.lastname: Schmieder
authors.forename: Dmytro
authors.initials: D
authors.lastname: Denysenko
authors.forename: Maciej
authors.initials: M
authors.lastname: Grzywa
authors.forename: Benjamin
authors.initials: B
authors.lastname: Baumgärtner
authors.forename: Irena
authors.initials: I
authors.lastname: Senkovska
authors.forename: Stefan
authors.initials: S
authors.lastname: Kaskel
authors.forename: German
authors.initials: G
authors.lastname: Sastre
authors.forename: Leo
authors.initials: L
authors.lastname: van Wüllen
authors.forename: Dirk
authors.initials: D
authors.lastname: Volkmer