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http://hdl.handle.net/2445/154618| 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 Ferro Estructura molecular Nitric oxide Iron 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: https://doi.org/10.1002/chem.201601172 |
| It is part of: | Chemistry-A European Journal, 2016, vol. 22, num. 36, p. 12741-12751 |
| URI: | http://hdl.handle.net/2445/154618 |
| Related resource: | https://doi.org/10.1002/chem.201601172 |
| ISSN: | 0947-6539 |
| Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
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|---|---|---|---|---|
| 666997.pdf | 1.39 MB | Adobe PDF | View/Open |
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