{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["10(35)"],"submitter":["Cao R"],"pubmed_abstract":["A combination of Cr K-edge XAS and DFT calculations have been performed on archetypal chromium porphyrinoid complexes Cr<sup>IV</sup>[TMP]O (2) and Cr<sup>V</sup>[TPC]O (3), and the results have been compared to the reference compound Cr<sup>III</sup>[TPP]Cl (1), where TPP<sup>2-</sup>, TMP<sup>2-</sup>, and TPC<sup>3-</sup> 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 oxidati"],"journal":["RSC advances"],"pagination":["20572-20578"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9054285"],"repository":["biostudies-literature"],"pubmed_title":["X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives."],"pmcid":["PMC9054285"],"pubmed_authors":["Ghosh A","Thomas KE","Sarangi R","Cao R"],"additional_accession":[]},"is_claimable":false,"name":"X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives.","description":"A combination of Cr K-edge XAS and DFT calculations have been performed on archetypal chromium porphyrinoid complexes Cr<sup>IV</sup>[TMP]O (2) and Cr<sup>V</sup>[TPC]O (3), and the results have been compared to the reference compound Cr<sup>III</sup>[TPP]Cl (1), where TPP<sup>2-</sup>, TMP<sup>2-</sup>, and TPC<sup>3-</sup> 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 oxidati","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 May","modification":"2025-04-18T14:14:29.224Z","creation":"2025-04-04T20:22:10.451Z"},"accession":"S-EPMC9054285","cross_references":{"pubmed":["35517776"],"doi":["10.1039/d0ra02335c"]}}