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Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks - A Comparative Study

Kuttatheyil, AV; Laessig, D; Lincke, J; Kobalz, M; Baias, M; Koenig, K; Hofmann, J; ... Bertmer, M; + view all (2013) Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks - A Comparative Study. Inorganic Chemistry , 52 (8) 4431 - 4442. 10.1021/ic302643w. Green open access

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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 Zn2+ 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.

Type: Article
Title: Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks - A Comparative Study
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/ic302643w
Publisher version: http://dx.doi.org/10.1021/ic302643w
Language: English
Additional information: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, © 2013 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/ic302643w
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
URI: https://discovery-pp.ucl.ac.uk/id/eprint/1396211
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