Pressure‐Induced Spin‐Crossover Features at Variable Temperature Revealed by In Situ Synchrotron Powder X‐ray Diffraction

An accurate high‐pressure X‐ray diffraction investigation, at various temperatures, on a powder of a spin‐crossover (SCO) complex has allowed the rare deconvolution of the structural features of the high‐spin and low‐spin phases. As a result, the pressure dependence of the structural parameters of t...

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Bibliographic Details
Published in:Chemistry : a European journal 2018-09, Vol.24 (54), p.14495-14499
Main Authors: Tailleur, Elodie, Marchivie, Mathieu, Itié, Jean‐Paul, Rosa, Patrick, Daro, Nathalie, Guionneau, Phillippe
Format: Article
Language:English
Subjects:
Aniline
bulk modulus
Chemical Sciences
Chemistry
Crossovers
high pressure
Material chemistry
Phases
Powder
powder diffraction
Pressure
Pressure dependence
Rietveld refinement
spin-crossover
Temperature
Temperature dependence
Temperature effects
X-ray diffraction
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Summary:An accurate high‐pressure X‐ray diffraction investigation, at various temperatures, on a powder of a spin‐crossover (SCO) complex has allowed the rare deconvolution of the structural features of the high‐spin and low‐spin phases. As a result, the pressure dependence of the structural parameters of the high‐spin and low‐spin phases can be discussed independently in the pressure domain where both phases co‐exist within the powder. Consequently, crucial unprecedented information is given, such as the variation of bulk moduli with temperature, similar here in amplitude for both spin phases, the temperature‐dependence of the pressure‐induced SCO abruptness, the temperature dependence of the pressure at which SCO occurs, and arguments for a possible piezo‐hysteresis. Performed on the molecular complex [Fe(PM‐PeA)2(NCSe)2] (PM‐PeA=N‐(2′‐pyridylmethylene)‐4‐(phenylethynyl) aniline), this study reveals a pressure‐induced SCO at 0.16 GPa and demonstrates that, when increasing temperature, the pressure of transition increases linearly, the abruptness of the pressure‐induced SCO strongly increases, and the bulk moduli decrease. Pressure cooker: Fine tracking of the pressure‐induced spin crossover of a molecular complex was accomplished thanks to in situ PXRD under pressure. The independent determination of the behaviors of the HS and LS phases in the large pressure range of coexistence allows the extraction of information such as the bulk moduli of both phases.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201802828