Polymorphism in the spin-crossover ferric complexes [(TPA)FeIII(TCC)]PF6

We have identified two polymorphs of the molecular complex [(TPA)Fe(III)(TCC)]PF6 [TPA = tris(2‐pyridylmethyl)amine and TCC = 3,4,5,6‐tetrachlorocatecholate dianion]: one is monoclinic and the other is orthorhombic. By lowering the temperature both undergo a thermal spin‐crossover between a high‐spi...

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Bibliographic Details
Published in:Acta crystallographica. Section B, Structural science Structural science, 2009-08, Vol.65 (4), p.474-480
Main Authors: Collet, Eric, Boillot, Marie-Laure, Hebert, Johan, Moisan, Nicolas, Servol, Marina, Lorenc, Maciej, Toupet, Loïc, Buron-Le Cointe, Marylise, Tissot, Antoine, Sainton, Joelle
Format: Article
Language:English
Subjects:
Condensed Matter
Crystal structure
Crystallography
Magnetism
Materials Science
Optics
phase transition
Physics
polymorphism
spin-crossover
Temperature
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Summary:We have identified two polymorphs of the molecular complex [(TPA)Fe(III)(TCC)]PF6 [TPA = tris(2‐pyridylmethyl)amine and TCC = 3,4,5,6‐tetrachlorocatecholate dianion]: one is monoclinic and the other is orthorhombic. By lowering the temperature both undergo a thermal spin‐crossover between a high‐spin (S = 5/2) and a low‐spin (S = 1/2) state, which we detected by magnetic, optical and X‐ray diffraction measurements. The thermal crossover is only slightly shifted between the polymorphs. Their crystalline structures consist of similar cation layers alternating with PF6 anion layers, packed differently in the two polymorphs. The magnetic and optical properties of the polymorphs are presented.
ISSN:0108-7681
2052-5192
1600-5740
2052-5206
DOI:10.1107/S0108768109021508