X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives.

ABSTRACT: A combination of Cr K-edge XAS and DFT calculations have been performed on archetypal chromium porphyrinoid complexes Cr^IV[TMP]O (2) and Cr^V[TPC]O (3), and the results have been compared to the reference compound Cr^III[TPP]Cl (1), where TPP^2-, TMP^2-, and TPC^3- are the anions of meso-tetraphenylporphyrin, meso-tetramesitylporphyrin, and meso-triphenylcorrole, respectively. The intensity-weighted average energy position in 1 (5990.9 eV), 2 (5992.0 eV) and 3 (5992.6 eV) are consistent with increasing the metal oxidation state along the series. EXAFS and theoretical analysis of 2 and 3 reveal that the Cr-O bond is longer and weaker in 3 relative to 2, despite the structural similarity and increase in oxidati

SUBMITTER: Cao R 

PROVIDER: S-EPMC9054285 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature