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  • Title: High-frequency and -field EPR of a pseudo-octahedral complex of high-spin Fe(II): bis(2,2'-bi-2-thiazoline)bis(isothiocyanato)iron(II).
    Author: Ozarowski A, Zvyagin SA, Reiff WM, Telser J, Brunel LC, Krzystek J.
    Journal: J Am Chem Soc; 2004 Jun 02; 126(21):6574-5. PubMed ID: 15161284.
    Abstract:
    A pseudo-octahedral complex of high-spin Fe(II), bis(2,2'-bi-2-thiazoline)bis(isothiocyanato)iron(II), which has a cis-FeN'2N4 chromophore, has been investigated by high-frequency, high-field electron paramagnetic resonance (HFEPR). Complementary Mössbauer and DC magnetic susceptibility studies were also performed. HFEPR spectra of powder samples were recorded at frequencies up to 700 GHz and over a magnetic field range of 0-25 T. Analysis of the field-frequency data set yields the following set of spin Hamiltonian parameters for S = 2: D = +12.427(12) cm-1, E = +0.243(3) cm-1; gx = 2.147(3), gy = 2.166(3), gz = 2.01(1). The parameters are analyzed by use of a simple crystal-field model. This study represents the first precise determination by HFEPR of spin Hamiltonian parameters in six-coordinate high-spin Fe(II) and indicates the applicability of HFEPR to the study of high-spin Fe(II) in coordination complexes and biological model compounds.
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