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Title: Electronic structure modulation in an exceptionally stable non-heme nitrosyl iron(II) spin-crossover complex
Author: Pineiro-Lopez, Lucia
Ortega-Villar, Norma
Carmen Munoz, M.
Molnar, Gabor
Cirera Fernández, Jordi
Moreno-Esparza, Rafael
Ugalde-Saldivar, Victor M.
Bousseksou, Azzedine
Ruiz Sabín, Eliseo
Real, Jose A.
Keywords: Òxid nítric
Estructura molecular
Nitric oxide
Molecular structure
Issue Date: 26-Aug-2016
Publisher: Wiley-VCH
Abstract: The 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.
Note: Versió postprint del document publicat a:
It is part of: Chemistry-A European Journal, 2016, vol. 22, num. 36, p. 12741-12751
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ISSN: 0947-6539
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

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