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Title: | A sequential method to prepare polymorphsand solvatomorphs of [Fe(1,3-bpp)2](ClO4)2·nH2O( n=0, 1, 2) with varying spin-crossover behaviour |
Author: | Bartual-Murgui, Carlos Codina, Carlota Roubeau, Olivier Aromí Bedmar, Guillem |
Keywords: | Compostos de ferro Polimorfisme (Cristal·lografia) Iron compounds Polymorphism (Crystallography) |
Issue Date: | 2-Aug-2016 |
Publisher: | Wiley-VCH |
Abstract: | Two polymorphs of the spin crossover (SCO) compound [Fe(1,3bpp)2](ClO4)2 (1 and 2; 1,3bpp, 2-(pyrazol-1-yl)-6-(pyrazol-3-yl)-pyridine) are prepared using a novel, stepwise procedure. Crystals of 1 deposit from dry solvents while 2 is obtained from a solid-state procedure, by sequentially removing lattice H2O molecules from the solvatomorph [Fe(1,3bpp)2](ClO4)2·2H2O (2·2H2O), using single-crystal-to-single-crystal (SCSC) transformations. Hydrate 2·2H2O is obtained through the same reaction as 1, now with 2.5% of added water. Compounds 2 and 2·2H2O are unstable in the atmosphere and absorb or lose one equivalent of water, respectively, to both yield the stable solvatomorph [Fe(1,3bpp)2](ClO4)2·H2O (2·H2O), also following SCSC processes. The four derivatives have been characterized by single crystal X-ray diffraction (SCXRD). Furthermore, the homogeneity of the various compounds as well as their SCSC interconversions have been confirmed by powder X-ray diffraction (PXRD). Polymorphs 1/2 exhibit abrupt SCO near room temperature with T1/2↑ = 279/316 K and T1/2↓ = 276/314 K (near 40 K of shift) and different cooperativity. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1002/chem.201601843 |
It is part of: | Chemistry-A European Journal, 2016, vol. 22, num. 36, p. 12767-12776 |
URI: | http://hdl.handle.net/2445/153818 |
Related resource: | https://doi.org/10.1002/chem.201601843 |
ISSN: | 0947-6539 |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
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