Piñeiro-López, LucíaOrtega-Villar, NormaMuñoz, M. CarmenMolnar, GaborCirera Fernández, JordiMoreno-Esparza, RafaelUgalde-Saldivar, Victor M.Bousseksou, AzzedineRuiz Sabín, EliseoReal, José Antonio2020-04-012020-04-012016-08-260947-6539https://hdl.handle.net/2445/154618The highly stable nitrosyl iron(II) mononuclear complex [Fe(bztpen)(NO)](PF6)(2) (bztpen=N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethylenediamine) displays an S=1/2 <-> S=3/2 spin crossover (SCO) behavior (T-1/2=370 K, Delta H= 12.48 kJmol(-1), Delta S=33 JK(-1) mol(-1)) stemming from strong magnetic coupling between the NO radical (S=1/2) and thermally interconverted (S=0 <-> S=2) ferrous spin states. The crystal structure of this robust complex has been investigated in the temperature range 120-420 K affording a detailed picture of how the electronic distribution of the t(2g)-e(g) orbitals modulates the structure of the {FeNO}(7) bond, providing valuable magneto-structural and spectroscopic correlations and DFT analysis.11 p.application/pdfeng(c) Wiley-VCH, 2016Òxid nítricFerroEstructura molecularNitric oxideIronMolecular structureinfo:eu-repo/semantics/article6669972020-04-01info:eu-repo/semantics/openAccess