Temperature‐ and pressure‐dependent structural study of {Fe(pmd)2[Ag(CN)2]2}n spin‐crossover compound by neutron Laue diffraction. Issue 3 (1st June 2014)

• Record Type: Journal Article
• Authors: Rodríguez‐Velamazán, José Alberto; Cañadillas‐Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
• Is Part Of: Acta crystallographica. Volume 70:Issue 3(2014:Jun.)
• Page Start: 436
• Page End: 443
• Publication Date: 2014-06-01
• DOI: 10.1107/S2052520614003023
• Languages: English
• ISSNs: 2052-5206

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The effect of pressure (up to 0.17 GPa) on the spin‐crossover compound {Fe(pmd)₂[Ag(CN)₂]₂}_{<italic>n</italic>} [orthorhombic isomer (II), pmd = pyrimidine] has been investigated by temperature‐ and pressure‐dependent neutron Laue diffraction and magnetometry. The cooperative high‐spin ↔ low‐spin transition, centred at <italic>ca</italic> 180 K at ambient pressure, is shifted to higher temperatures as pressure is applied, showing a moderate sensitivity of the compound to pressure, since the spin transition is displaced by <italic>ca</italic> 140 K GPa⁻¹. The space‐group symmetry (orthorhombic <italic>Pccn</italic>) remains unchanged over the pressure–temperature (P–T) range studied. The main structural consequence of the high‐spin to low‐spin transition is the contraction of the distorted octahedral [FeN₆] chromophores, being more marked in the axial positions (occupied by the pmd units), than in the equatorial positions (occupied by four [Ag(CN)₂]⁻ bridging ligands).</p> </abstract>