Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]

Hauke Paulsen; Markus Müther; Michael Grodzicki; Alfred X. Trautwein; Eckhard Bill

Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]

Hauke Paulsen, Markus Müther, Michael Grodzicki, Alfred X. Trautwein, Eckhard Bill

Institute of Physics

Max-Planck-Institut für Strahlenchemie

15 Citations (Scopus)

Abstract

We have applied Mössbauer- and EPR spectroscopy to [(Cl)Fe(IV)=O(TMP)^̇] which is a synthetic analog for compound I of the heme peroxidases. The temperature- and field-dependent Mössbauer- and EPR spectra were analyzed within the spin-Hamiltonian formalism. Spectral simulations with a unique parameter set are prohibited due to the fact that several of the spin-Hamiltonian parameters cannot be determined independently and, therefore, are covariant. Theoretical considerations are discussed to reduce the allowed parameter space.

Original language	English
Journal	Bulletin de la Societe Chimique de France
Volume	133
Issue number	7-8
Pages (from-to)	703-710
Number of pages	8
ISSN	0037-8968
Publication status	Published - 01.12.1996

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Paulsen, H., Müther, M., Grodzicki, M., Trautwein, A. X., & Bill, E. (1996). Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]. Bulletin de la Societe Chimique de France, 133(7-8), 703-710. https://www.infona.pl/resource/bwmeta1.element.elsevier-5fde36a6-9b25-3247-940d-ae6a2a307bec/tab/summary

@article{b4ec1f6fc189458c93f7710b85dd0a69,

title = "Complementary M{\"o}ssbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP{\.)}]",

abstract = "We have applied M{\"o}ssbauer- and EPR spectroscopy to [(Cl)Fe(IV)=O(TMP{\.)}] which is a synthetic analog for compound I of the heme peroxidases. The temperature- and field-dependent M{\"o}ssbauer- and EPR spectra were analyzed within the spin-Hamiltonian formalism. Spectral simulations with a unique parameter set are prohibited due to the fact that several of the spin-Hamiltonian parameters cannot be determined independently and, therefore, are covariant. Theoretical considerations are discussed to reduce the allowed parameter space.",

author = "Hauke Paulsen and Markus M{\"u}ther and Michael Grodzicki and Trautwein, \{Alfred X.\} and Eckhard Bill",

year = "1996",

month = dec,

day = "1",

language = "English",

volume = "133",

pages = "703--710",

journal = "Bulletin de la Societe Chimique de France",

issn = "0037-8968",

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Paulsen, H, Müther, M, Grodzicki, M, Trautwein, AX & Bill, E 1996, 'Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]', Bulletin de la Societe Chimique de France, vol. 133, no. 7-8, pp. 703-710. <https://www.infona.pl/resource/bwmeta1.element.elsevier-5fde36a6-9b25-3247-940d-ae6a2a307bec/tab/summary>

Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]. / Paulsen, Hauke; Müther, Markus; Grodzicki, Michael et al.
In: Bulletin de la Societe Chimique de France, Vol. 133, No. 7-8, 01.12.1996, p. 703-710.

Research output: Journal Articles › Journal articles › Research › peer-review

TY - JOUR

T1 - Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]

AU - Paulsen, Hauke

AU - Müther, Markus

AU - Grodzicki, Michael

AU - Trautwein, Alfred X.

AU - Bill, Eckhard

PY - 1996/12/1

Y1 - 1996/12/1

N2 - We have applied Mössbauer- and EPR spectroscopy to [(Cl)Fe(IV)=O(TMP)̇] which is a synthetic analog for compound I of the heme peroxidases. The temperature- and field-dependent Mössbauer- and EPR spectra were analyzed within the spin-Hamiltonian formalism. Spectral simulations with a unique parameter set are prohibited due to the fact that several of the spin-Hamiltonian parameters cannot be determined independently and, therefore, are covariant. Theoretical considerations are discussed to reduce the allowed parameter space.

AB - We have applied Mössbauer- and EPR spectroscopy to [(Cl)Fe(IV)=O(TMP)̇] which is a synthetic analog for compound I of the heme peroxidases. The temperature- and field-dependent Mössbauer- and EPR spectra were analyzed within the spin-Hamiltonian formalism. Spectral simulations with a unique parameter set are prohibited due to the fact that several of the spin-Hamiltonian parameters cannot be determined independently and, therefore, are covariant. Theoretical considerations are discussed to reduce the allowed parameter space.

UR - https://www.scopus.com/pages/publications/0000999094

M3 - Journal articles

AN - SCOPUS:0000999094

SN - 0037-8968

VL - 133

SP - 703

EP - 710

JO - Bulletin de la Societe Chimique de France

JF - Bulletin de la Societe Chimique de France

IS - 7-8

ER -

Complementary Mössbauer, EPR and theoretical studies of the exchange-coupled oxoferryl porphyrin cation radical system [(Cl)Fe(IV)=O(TMP)̇]

Abstract

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