Synergy between polymorphism, pressure, spin-crossover and temperature in [Fe(PM-BiA)2(NCS)2]: a neutron powder diffraction investigation | Zendy

Vincent Legrand | Zendy; Stanislav Péchev | Zendy; JeanFrançois Létard | Zendy; Philippe Guionneau | Zendy

Open Access

Synergy between polymorphism, pressure, spin-crossover and temperature in [Fe(PM-BiA)2(NCS)2]: a neutron powder diffraction investigation

Author(s) -

Vincent Legrand,

Stanislav Péchev,

JeanFrançois Létard,

Philippe Guionneau

Publication year - 2013

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/c3cp51444g

Subject(s) - spin crossover , neutron diffraction , spin transition , polymorphism (computer science) , phase diagram , powder diffraction , chemistry , crystallography , diffraction , phase transition , ambient pressure , materials science , lattice constant , phase (matter) , thermodynamics , crystal structure , organic chemistry , physics , biochemistry , genotype , optics , gene

The pressure dependencies of the lattice parameters of the spin transition compound [Fe(PM-BiA)2(NCS)2] have been derived from neutron powder diffraction measurements at low temperature. The study of the compound [Fe(PM-BiA)2(NCS)2]-pI has first confirmed the atypical spin crossover behaviour under pressure of this compound that shows a pressure induced structural transition inducing the transformation into a different polymorph, [Fe(PM-BiA)2(NCS)2]-pII. This phenomenon avoids a first-order spin transition in favour of continuous transition around 0.75 GPa at ambient temperature. Low temperature measurements under pressure up to 1.07 GPa allowed us not only to describe the spin-crossover for both polymorphs but also to reach phase-diagram regions where both polymorphs co-exist in different spin-states. Finally, the reversibility of the structural variations has been demonstrated.

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