Synthesis, crystal structure, and solid-state NMR investigations of heteronuclear Zn/Co coordination networks - A comparative study

Anusree Viswanath Kuttatheyil, Daniel Lässig, Jörg Lincke, Merten Kobalz, Maria Baias, Katja König, Jörg Hofmann, Harald Krautscheid, Chris J. Pickard, Jürgen Haase, Marko Bertmer

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Abstract

Synthesis and solid-state NMR characterization of two isomorphous series of zinc and cobalt coordination networks with 1,2,4-triazolyl benzoate ligands are reported. Both series consist of 3D diamondoid networks with four-fold interpenetration. Solid-state NMR identifies the metal coordination of the ligands, and assignment of all 1H and 13C shifts was enabled by the combination of 13C editing, FSLG-HETCOR spectra, and 2D 1H-1H back-to-back (BABA) spectra with results from NMR-CASTEP calculations. The incorporation of Co2+ replacing Zn 2+ ions in the MOF over the full range of concentrations has significant influences on the NMR spectra. A uniform distribution of metal ions is documented based on the analysis of 1H T1 relaxation time measurements.

Original languageEnglish (US)
Pages (from-to)4431-4442
Number of pages12
JournalInorganic Chemistry
Volume52
Issue number8
DOIs
StatePublished - Apr 15 2013

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Kuttatheyil, A. V., Lässig, D., Lincke, J., Kobalz, M., Baias, M., König, K., Hofmann, J., Krautscheid, H., Pickard, C. J., Haase, J., & Bertmer, M. (2013). Synthesis, crystal structure, and solid-state NMR investigations of heteronuclear Zn/Co coordination networks - A comparative study. Inorganic Chemistry, 52(8), 4431-4442. https://doi.org/10.1021/ic302643w