Matrix isolation infrared study of the interaction of dioxygen with chromium(II)tetraphenylporphyrin

[Display omitted] •Cr(TPP) and molecular oxygen were isolated in Ar matrix at 10 K.•Five coordinate adduct of Cr(TPP)(O2) was identified by FTIR using natural abundance and isotope substituted dioxygen.•IR spectra and DFT calculations suggest bent angular coordination of O2. The infrared spectra of...

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Bibliographic Details
Published in:Inorganica Chimica Acta 2021-09, Vol.524, p.120439, Article 120439
Main Authors: Martirosyan, G.G., Hovhannisyan, G.S., Kurtikyan, T.S., Iretskii, A.V.
Format: Article
Language:English
Subjects:
Anions
Argon
Chromium
Chromium(II) porphyrin
Dioxygen complexes
FTIR spectroscopy
Infrared spectra
Matrix isolation
Oxygen
Thin films
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Summary:[Display omitted] •Cr(TPP) and molecular oxygen were isolated in Ar matrix at 10 K.•Five coordinate adduct of Cr(TPP)(O2) was identified by FTIR using natural abundance and isotope substituted dioxygen.•IR spectra and DFT calculations suggest bent angular coordination of O2. The infrared spectra of Cr(II)(TPP) (TPP is meso-tetraphenylporphyrinato dianion) and its adduct with molecular oxygen have been recorded in argon matrices at 10 K, as well as in thin sublimated films. Formation of the Cr(TPP)(O2) adduct have been confirmed using 16O2 and 18O2. The ν(O2) stretching bands are located at 1146 and 1082 cm−1, respectively. These and literature data together with the results of our DFT calculations, are consistent with the end-on dioxygen binding mode in the Cr(III)(TPP)(O2–) superoxo complex.
ISSN:0020-1693
1873-3255
DOI:10.1016/j.ica.2021.120439