Temperature- and pressure-dependent structural study of {Fe(pmd) 2[Ag(CN)2 ]2}n spin-crossover compound by neutron Laue diffraction

Rodríguez-Velamazán, J.A. ; Cañadillas-Delgado, L. ; Castro, M. (Universidad de Zaragoza) ; McIntyre, G.J. ; Real, J.A.

Resumen: The effect of pressure (up to 0.17 GPa) on the spin-crossover compound {Fe(pmd)2[Ag(CN)2]2}n [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 ca 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 ca 140 K GPa-1. The space-group symmetry (orthorhombic Pccn) 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).

Idioma: Inglés

DOI: 10.1107/S2052520614003023

Año: 2014

Publicado en: Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials 70, 3 (2014), 436-443
ISSN: 2052-5192

Financiación: info:eu-repo/grantAgreement/ES/MICINN/CSD2007-00010
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2010-18414
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2011-24284
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2011-27233-C02-02

Tipo y forma: Article (Published version)

Área (Departamento): Ciencia de los Materiales e Ingeniería Metalúrgica (Departamento de Ciencia y Tecnología de Materiales y Fluidos)