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Journal

2015 | 60 | 1 | 51-55

Article title

Mössbauer spectroscopy of reduced forms of a Fe-tetraphenylporphyrine complex

Content

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Languages of publication

EN

Abstracts

EN
Molecular and electronic structure changes during successive reduction of a Fe-tetraphenylporphyrin chloride [Fe(III)(TPP):Cl] complex are reported on the basis of Mössbauer spectroscopy and DFT calculations. It is established that the attachment of additional electrons to a neutral Fe(III)(TPP):Cl molecule leads to significant shortening of Fe-N distances at the first stage of the reduction Fe(III)(TPP):Cl → Fe(II)(TPP) and lengthening of these bonds at the second stage Fe(II)(TPP) → Fe(I)(TPP). Changes of other bond lengths of the porphyrin ring also appear but in less degree. Interaction of Fe(II) and Fe(I)(TPP) with tetrahydrofuran (THF) solvent is considered. Electron configuration of Fe(II)(TPP) corresponds to intermediate-spin (S = 1) state and in the case of Fe(I)(TPP) low-spin state (S = ½) is observed. Electron density distribution in Fe(II)- and Fe(I)(TPP) complexes, in association with Mössbauer data, is analyzed. Good correlation between experimental and theoretical results was obtained.

Publisher

Journal

Year

Volume

60

Issue

1

Pages

51-55

Physical description

Dates

published
1 - 3 - 2015
online
12 - 3 - 2015
accepted
15 - 11 - 2014
received
18 - 6 - 2014

Contributors

  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975
  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975
  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975

References

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_1515_nuka-2015-0014
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