Static and dynamic hyperfine coupling of FE(II) in the FeS4 unit. Results of Mössbauer spectroscopy on a [P(C6H 5)4]2[Fe(SC6H5) 4] monocrystal

H. Winkler; E. Bill; A. X. Trautwein; A. Kostikas; A. Simopoulos; A. Terzis

doi:10.1063/1.455196

Static and dynamic hyperfine coupling of FE(II) in the FeS₄ unit. Results of Mössbauer spectroscopy on a [P(C₆H ₅)₄]₂[Fe(SC₆H₅) ₄] monocrystal

H. Winkler^*, E. Bill, A. X. Trautwein, A. Kostikas, A. Simopoulos, A. Terzis

^*Corresponding author for this work

Institute of Physics

National Center for Scientific Research Demokritos

18 Citations (Scopus)

Abstract

The hyperfine coupling parameters of Fe(II) in the FeS₄ unit of the complex anion [Fe(SC₆H₅)₄]2^- have been determined from an analysis of Mössbauer spectra of a monocrystal in the temperature range of 1.5 to 20 K and in magnetic fields of O to 6.7 T. Dynamic spin fluctuation effects have been included in the analysis by a stochastic model with spin-lattice relaxation. Anisotropy in the relaxation matrix element was of moderate significance and apparent only at low fields. The use of a monocrystal allows more precise determination of hyperfine parameters, because it avoids the averaging procedures which are inherent in studies on polycrystalline material. The set of parameters is essentially identical with that reported for reduced rubredoxin and indicates that the electronic ground state of [Fe(SC₆H₅)₄]^2-, predominantly of [3z² - r²] character, simulates very well the ground state of the protein FeS core.

Original language	English
Journal	The Journal of Chemical Physics
Volume	89
Issue number	2
Pages (from-to)	732-740
Number of pages	9
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.455196
Publication status	Published - 01.01.1988

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1063/1.455196

Cite this

@article{24104f4a56724c5783aa0d46807b4824,

title = "Static and dynamic hyperfine coupling of FE(II) in the FeS4 unit. Results of M{\"o}ssbauer spectroscopy on a [P(C6H 5)4]2[Fe(SC6H5) 4] monocrystal",

abstract = "The hyperfine coupling parameters of Fe(II) in the FeS4 unit of the complex anion [Fe(SC6H5)4]2- have been determined from an analysis of M{\"o}ssbauer spectra of a monocrystal in the temperature range of 1.5 to 20 K and in magnetic fields of O to 6.7 T. Dynamic spin fluctuation effects have been included in the analysis by a stochastic model with spin-lattice relaxation. Anisotropy in the relaxation matrix element was of moderate significance and apparent only at low fields. The use of a monocrystal allows more precise determination of hyperfine parameters, because it avoids the averaging procedures which are inherent in studies on polycrystalline material. The set of parameters is essentially identical with that reported for reduced rubredoxin and indicates that the electronic ground state of [Fe(SC6H5)4]2-, predominantly of [3z2 - r2] character, simulates very well the ground state of the protein FeS core.",

author = "H. Winkler and E. Bill and Trautwein, {A. X.} and A. Kostikas and A. Simopoulos and A. Terzis",

year = "1988",

month = jan,

day = "1",

doi = "10.1063/1.455196",

language = "English",

volume = "89",

pages = "732--740",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

number = "2",

}

TY - JOUR

T1 - Static and dynamic hyperfine coupling of FE(II) in the FeS4 unit. Results of Mössbauer spectroscopy on a [P(C6H 5)4]2[Fe(SC6H5) 4] monocrystal

AU - Winkler, H.

AU - Bill, E.

AU - Trautwein, A. X.

AU - Kostikas, A.

AU - Simopoulos, A.

AU - Terzis, A.

PY - 1988/1/1

Y1 - 1988/1/1

N2 - The hyperfine coupling parameters of Fe(II) in the FeS4 unit of the complex anion [Fe(SC6H5)4]2- have been determined from an analysis of Mössbauer spectra of a monocrystal in the temperature range of 1.5 to 20 K and in magnetic fields of O to 6.7 T. Dynamic spin fluctuation effects have been included in the analysis by a stochastic model with spin-lattice relaxation. Anisotropy in the relaxation matrix element was of moderate significance and apparent only at low fields. The use of a monocrystal allows more precise determination of hyperfine parameters, because it avoids the averaging procedures which are inherent in studies on polycrystalline material. The set of parameters is essentially identical with that reported for reduced rubredoxin and indicates that the electronic ground state of [Fe(SC6H5)4]2-, predominantly of [3z2 - r2] character, simulates very well the ground state of the protein FeS core.

AB - The hyperfine coupling parameters of Fe(II) in the FeS4 unit of the complex anion [Fe(SC6H5)4]2- have been determined from an analysis of Mössbauer spectra of a monocrystal in the temperature range of 1.5 to 20 K and in magnetic fields of O to 6.7 T. Dynamic spin fluctuation effects have been included in the analysis by a stochastic model with spin-lattice relaxation. Anisotropy in the relaxation matrix element was of moderate significance and apparent only at low fields. The use of a monocrystal allows more precise determination of hyperfine parameters, because it avoids the averaging procedures which are inherent in studies on polycrystalline material. The set of parameters is essentially identical with that reported for reduced rubredoxin and indicates that the electronic ground state of [Fe(SC6H5)4]2-, predominantly of [3z2 - r2] character, simulates very well the ground state of the protein FeS core.

UR - http://www.scopus.com/inward/record.url?scp=0006113915&partnerID=8YFLogxK

U2 - 10.1063/1.455196

DO - 10.1063/1.455196

M3 - Journal articles

AN - SCOPUS:0006113915

SN - 0021-9606

VL - 89

SP - 732

EP - 740

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 2

ER -

Static and dynamic hyperfine coupling of FE(II) in the FeS₄ unit. Results of Mössbauer spectroscopy on a [P(C₆H ₅)₄]₂[Fe(SC₆H₅) ₄] monocrystal

Abstract

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this