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

• Autorzy: Kaczmarzyk T. , Dziedzic-Kocurek K. , Rutkowska I. , Dziliński K.

Identyfikatory

DOI

10.1515/nuka-2015-0013

• Konferencja: All-Polish Seminar on Mössbauer Spectroscopy OSSM 2014 (10th ; 15-18.06.2014 ; Wrocław, Poland)
• Języki publikacji: EN

Abstrakty

EN

Mössbauer investigations, in association with density functional theory (DFT) calculations, have been conducted for the molecular and electronic structures of iron (III) [tetrakis (pentafl uorophenyl)] porphyrin chloride [(F20TPP)Fe:Cl], as a Fe(III)-tetraphenylporphyrin complex containing chloride axial ligand and substituted hydrogen atoms by fl uorine ones in the four phenyl rings, in comparison with its fl uorine 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.

Słowa kluczowe

EN

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

• Wydawca: Institute of Nuclear Chemistry and Technology
• Czasopismo: Nukleonika
• Rocznik: 2015
• Tom: Vol. 60, No. 1
• Strony: 57--61
• Opis fizyczny: Bibliogr. 26 poz., rys.

Twórcy

autor

Kaczmarzyk T.

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

autor

Dziedzic-Kocurek K.

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

autor

Rutkowska I.

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

autor

Dziliński K.

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

Bibliografia

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