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

doi:10.1021/ic302643w

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

Chemistry

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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 language	English (US)
Pages (from-to)	4431-4442
Number of pages	12
Journal	Inorganic Chemistry
Volume	52
Issue number	8
DOIs	https://doi.org/10.1021/ic302643w
State	Published - Apr 15 2013

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic302643w

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

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.",

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language = "English (US)",

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T1 - Synthesis, crystal structure, and solid-state NMR investigations of heteronuclear Zn/Co coordination networks - A comparative study

AU - Kuttatheyil, Anusree Viswanath

AU - Lässig, Daniel

AU - Lincke, Jörg

AU - Kobalz, Merten

AU - Baias, Maria

AU - König, Katja

AU - Hofmann, Jörg

AU - Krautscheid, Harald

AU - Pickard, Chris J.

AU - Haase, Jürgen

AU - Bertmer, Marko

PY - 2013/4/15

Y1 - 2013/4/15

N2 - 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.

AB - 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.

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JO - Inorganic Chemistry

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IS - 8

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

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