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RESEARCH PRODUCT
Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex
Gábor MolnárAzzedine BousseksouM. Carmen MuñozRafael Moreno-esparzaLucía Piñeiro-lópezEliseo RuizJordi CireraJosé Antonio RealNorma Ortega-villarVíctor M. Ugalde-saldívarsubject
Spin statesIronInorganic chemistryAntiferromagnetic couplingEthylenediamineCrystal structureElectronic structure010402 general chemistry01 natural sciencesCatalysisFerrouschemistry.chemical_compoundAtomic orbitalSpin crossover[CHIM.COOR]Chemical Sciences/Coordination chemistryMolecular structures010405 organic chemistryEstructura molecularOrganic ChemistryNitric oxideGeneral ChemistryAtmospheric temperature rangeSpin crossoverÒxid nítric0104 chemical sciences3. Good healthCrystallographychemistryFISICA APLICADANitrosyl complexesMolecular structureFerrodescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-01-01 | Chemistry - A European Journal |