Mössbauer study of a tetrakis (pentafluorophenyl) porphyrin iron (III) chloride in comparison with the fluorine unsubstituted analogue

• Authors: Tomasz Kaczmarzyk , Katarzyna Dziedzic-Kocurek , Iwona Rutkowska , Kazimierz Dziliński
• Languages of publication: EN

Abstracts

EN

Mössbauer investigations, in association with density functional theory (DFT) calculations, have been conducted for the molecular and electronic structures of iron (III) [tetrakis (pentafluorophenyl)] porphyrin chloride [(F20TPP)Fe:Cl], as a Fe(III)-tetraphenylporphyrin complex containing chloride axial ligand and substituted hydrogen atoms by fluorine ones in the four phenyl rings, in comparison with its fluorine unsubstituted analogue [(TPP)Fe:Cl]. It was found that the parameters of Mössbauer spectra of both complexes are close to one another, and correspond to the high-spin state of Fe(III) ions, but they show the different temperature dependence and the quadrupole doublets in Mössbauer spectra show different asymmetry at low temperatures. Results of DFT calculations are analyzed in the light of catalytic activity of the halogenated complex.

Keywords

EN

catalytic activity; DFT calculations; electronic structure; iron(III)-[tetrakis (pentafluorophenyl)]; Mössbauer spectroscopy; porphyrin chloride

• Publisher: De Gruyter Open
• Journal: Nukleonika
• Year: 2015
• Volume: 60
• Issue: 1
• Pages: 57-61

Dates

published

1 - 3 - 2015

online

12 - 3 - 2015

received

18 - 6 - 2014

accepted

4 - 11 - 2014

Contributors

author

Tomasz Kaczmarzyk

• Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: [phone], Fax: [phone]

author

Katarzyna Dziedzic-Kocurek

• Institute of Physics, Jagiellonian University, 4 Reymonta Str., 30-059 Kraków, Poland

author

Iwona Rutkowska

• Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: [phone], Fax: [phone]

author

Kazimierz Dziliński

• Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: [phone], Fax: [phone]

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Identifiers

DOI

10.1515/nuka-2015-0013