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Updated: May 12, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Synthesis, crystal structure, and solid-state NMR investigations of heteronuclear zn/co coordination networks--a
Anusree Viswanath Kuttatheyil1, Daniel Lässig, Jörg Lincke
1Universität Leipzig, Fakultät für Physik und Geowissenschaften, Linnéstr. 5, D-04103, Germany.
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 (1)H and (13)C shifts was enabled by the combination of (13)C editing, FSLG-HETCOR spectra, and 2D (1)H-(1)H back-to-back (BABA) spectra with results from NMR-CASTEP calculations. The incorporation of Co(2+) 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 (1)H T1 relaxation time measurements.
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