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Enclosing the functional properties of pyrazolato-based coordination polymers within a structural frame: the role of laboratory X-ray powder diffraction

Published online by Cambridge University Press:  14 November 2013

Simona Galli  and
Norberto Masciocchi
Simona Galli
Affiliation:
Dipartimento di Scienza e Alta Tecnologia, Università dell'Insubria, Via Valleggio 11, 22100 Como, Italy
Norberto Masciocchi
Affiliation:
Dipartimento di Scienza e Alta Tecnologia, Università dell'Insubria, Via Valleggio 11, 22100 Como, Italy
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Abstract

Ab initio X-ray powder diffraction structural analyses from laboratory data have been widely employed in the characterization of coordination polymers not affording single crystals of suitable quality to undergo conventional structural determinations. This is particularly true for coordination polymers built upon strong ligand-to-metal bonds, as those formed by anionic, nitrogen-based heterocycles - pyrazolates, imidazolates, pyrimidinolates and more complex moieties derived therefrom. More than one hundred species belonging to this class have been structurally characterized in the last three decades, affording key, otherwise inaccessible stereochemical and supramolecolar features. This contribution summarizes our most recent experience in the XRPD structural characterization of pyrazolato-based coordination polymers, devoting a special consideration to the methodologies and tricks which allowed us to juxtapose the structural description of these materials to their physico-chemical and, above all, functional properties.

Keywords

Powder diffractioncrystal structurecoordination polymerspyrazolato-based ligands
Type
Technical Articles
Information
Powder Diffraction , Volume 28 , Supplement S2 , September 2013 , pp. S106 - S125
Copyright
Copyright © International Centre for Diffraction Data 2013 

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