Mössbauer study of a tetrakis (pentafluorophenyl) porphyrin iron (III) chloride in comparison with the fluorine unsubstituted analogue
pl
dc.type
JournalArticle
pl
dc.description.physical
57-61
pl
dc.abstract.en
Mossbauer 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 [(F_{20}TPP)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 Mossbauer 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 Mossbauer spectra show different asymmetry at low temperatures. Results of DFT calculations are analyzed in the light of catalytic activity of the halogenated complex.
pl
dc.subject.en
catalytic activity
pl
dc.subject.en
DFT calculations
pl
dc.subject.en
electronic structure
pl
dc.subject.en
iron(III)-[tetrakis (pentafluorophenyl)]
pl
dc.subject.en
Mössbauer spectroscopy
pl
dc.subject.en
porphyrin chloride
pl
dc.description.volume
60
pl
dc.description.number
1
pl
dc.identifier.doi
10.1515/nuka-2015-0013
pl
dc.identifier.eissn
1508-5791
pl
dc.title.journal
Nukleonika
pl
dc.title.volume
Proceedings of the 10th All-Polish Seminar on Mössbauer Spectroscopy OSSM 2014 15-18 June 2014, Wrocław, Poland
pl
dc.language.container
eng
pl
dc.affiliation
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
pl
dc.subtype
Article
pl
dc.rights.original
CC-BY-NC-ND; otwarte czasopismo; ostateczna wersja wydawcy; w momencie opublikowania; 0;
Poza zaznaczonymi wyjątkami, licencja tej pozycji opisana jest jako Udzielam licencji. Uznanie autorstwa - Użycie niekomercyjne - Bez utworów zależnych 3.0