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2015 | 60 | 1 | 51-55
Article title

Mössbauer spectroscopy of reduced forms of a Fe-tetraphenylporphyrine complex

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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
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.-psjd-doi-10_1515_nuka-2015-0014
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