Journal
INORGANICA CHIMICA ACTA
Volume 524, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2021.120439
Keywords
FTIR spectroscopy; Chromium(II) porphyrin; Dioxygen complexes; Matrix isolation
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Funding
- SCS RA [18T-1D242]
- ANSEF foundation [NSbiochem1313]
- Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC [DMR-1720256]
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The infrared spectra of Cr(II)(TPP) and its adduct with molecular oxygen were studied, confirming the formation of the adduct experimentally and validating the dioxygen binding mode using computational results.
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 nu(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.
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