biostudies-literatureUnknown10(35)Cao RA 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 <i>meso</i>-tetraphenylporphyrin, <i>meso</i>-tetramesitylporphyrin, and <i>meso</i>-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 oxidatiRSC advances20572-20578https://www.ebi.ac.uk/biostudies/studies/S-EPMC9054285biostudies-literatureX-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives.PMC9054285Ghosh AThomas KESarangi RCao RfalseX-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives.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 <i>meso</i>-tetraphenylporphyrin, <i>meso</i>-tetramesitylporphyrin, and <i>meso</i>-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 oxidati2020-01-01T00:00:00Z2020 May2025-04-18T14:14:29.224Z2025-04-04T20:22:10.451ZS-EPMC90542853551777610.1039/d0ra02335c