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).
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.
authors.affiliation: National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32310, USA.
authors.forename: Andrew
authors.initials: A
authors.lastname: Ozarowski
authors.forename: S A
authors.initials: SA
authors.lastname: Zvyagin
authors.forename: William M
authors.initials: WM
authors.lastname: Reiff
authors.forename: Joshua
authors.initials: J
authors.lastname: Telser
authors.forename: Louis-Claude
authors.initials: LC
authors.lastname: Brunel
authors.forename: J
authors.initials: J
authors.lastname: Krzystek
mesh_terms: D003198:Computer Simulation; D004578:Electron Spin Resonance Spectroscopy; D005296:Ferrous Compounds / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry; D013844:Thiazoles / Q000737:chemistry*; D013861:Thiocyanates / Q000737:chemistry*
chemical_list: D005296:Ferrous Compounds; D009942:Organometallic Compounds; D013844:Thiazoles; D013861:Thiocyanates