Piñeiro López, L.; Ortega Villar, N.; Muñoz Roca, MDC.; Molnar, G.; Cirera, J.; Moreno Esparza, R.; Ugalde Saldivar, VM.... (2016). Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex. Chemistry - A European Journal. 22(36):12741-12751. https://doi.org/10.1002/chem.201601172
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/75106
Title:
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Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex
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Author:
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Piñeiro López, Lucía
Ortega Villar, Norma
Muñoz Roca, María del Carmen
Molnar, Gabor
Cirera, Jordi
Moreno Esparza, Rafael
Ugalde Saldivar, Victor M.
Bousseksou, Azzedine
Ruiz, Eliseo
Real, Jose A.
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UPV Unit:
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Universitat Politècnica de València. Escuela Técnica Superior de Ingeniería del Diseño - Escola Tècnica Superior d'Enginyeria del Disseny
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Issued date:
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Abstract:
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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 ...[+]
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.
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Subjects:
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Antiferromagnetic coupling
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Molecular structures
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Nitrosyl complexes
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Spin crossover
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Copyrigths:
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Cerrado |
Source:
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Chemistry - A European Journal. (issn:
0947-6539
) (eissn:
1521-3765
)
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DOI:
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10.1002/chem.201601172
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Publisher:
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Wiley
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Publisher version:
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http://dx.doi.org/10.1002/chem.201601172
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Project ID:
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info:eu-repo/grantAgreement/MINECO//CTQ2013-46275-P/ES/SENSORES Y MEMORIAS BASADOS EN MATERIALES BIESTABLES CON TRANSICION DE ESPIN/
info:eu-repo/grantAgreement/MINECO//CTQ2015-64579-C3-1-P/ES/ESTRUCTURA ELECTRONICA Y PROPIEDADES DE MOLECULAS Y SOLIDOS/
info:eu-repo/grantAgreement/MINECO//MDM-2015-0538/ES/INSTITUTO DE CIENCIA MOLECULAR/
info:eu-repo/grantAgreement/GVA//PROMETEO%2F2012%2F049/
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Thanks:
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The research reported here was supported by the Spanish Ministerio de Economia y Competitividad (MINECO) and FEDER funds (CTQ2013-46275-P, CTQ2015-64579-C3-1-P, and Unidad de Excelencia Maria de Maeztu MDM-2015-0538) and ...[+]
The research reported here was supported by the Spanish Ministerio de Economia y Competitividad (MINECO) and FEDER funds (CTQ2013-46275-P, CTQ2015-64579-C3-1-P, and Unidad de Excelencia Maria de Maeztu MDM-2015-0538) and the Generalitat Valenciana (PROMETEO/2012/049). L.P.L. thanks the Generalitat Valenciana and the Universidad de Valencia for a predoctoral fellowship. J.C. and E.R. thank the Generalitat de Catalunya for a Beatriu de Pinos grant and an ICREA Academia award, respectively.
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Type:
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Artículo
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