- Tytuł:
- 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. - Powiązania:
- https://bibliotekanauki.pl/articles/146091.pdf
- Data publikacji:
- 2015
- Wydawca:
- Instytut Chemii i Techniki Jądrowej
- Tematy:
-
catalytic activity
DFT calculations
electronic structure
iron(III)-[tetrakis (pentafl uorophenyl)]
Mössbauer spectroscopy
porphyrin chloride - Opis:
- 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.
- Źródło:
-
Nukleonika; 2015, 60, 1; 57-61
0029-5922
1508-5791 - Pojawia się w:
- Nukleonika
- Dostawca treści:
- Biblioteka Nauki
Artykuł