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Issue 44, 2019
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Ab initio powder X-ray diffraction structural analysis of bispidine based 1D coordination polymers: insights into their guest responsive behaviour

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Abstract

The first ab initio synchrotron powder X-ray diffraction (XRD) data structure solution, employing real-space global optimization strategies followed by Rietveld refinement, was obtained for a bispidine based one-dimensional ribbon-like coordination polymer (CP) 1. The structure solution of 1, a non-dynamic phase containing no solvent molecules, is crucial to obtain a more comprehensive view of the dynamic behaviour of a new family of 1D CPs, in terms of solvent adsorption and exchange processes by direct comparison among the structures, solvent–ribbon and inter-ribbon interactions of the CP materials. This work also reports novel bisolvated phases, 1·TCM·oNT, 1·TCM·pCT and 1·TCM·NB, in the form of single crystals and microcrystalline powders and shows that 1 can be thermally activated to regain dynamic selective adsorption features.

Graphical abstract: Ab initio powder X-ray diffraction structural analysis of bispidine based 1D coordination polymers: insights into their guest responsive behaviour

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Publication details

The article was received on 22 Sep 2019, accepted on 11 Oct 2019 and first published on 14 Oct 2019


Article type: Paper
DOI: 10.1039/C9DT03765A
Dalton Trans., 2019,48, 16756-16763

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    Ab initio powder X-ray diffraction structural analysis of bispidine based 1D coordination polymers: insights into their guest responsive behaviour

    M. Lippi, M. Cametti and J. Martí-Rujas, Dalton Trans., 2019, 48, 16756
    DOI: 10.1039/C9DT03765A

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