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Xray Absorption Spectroscopy as a Probe of Ligand Noninnocence in Metallocorroles: The Case of Copper Corroles [component]

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An electronic structure and a Cu oxidation state of Cu corroles have been widely debated research topics due to the noninnocent ligand character of corroles. This study utilizes Cu Kedge X-ray absorption spectroscopy (XAS) to directly investigate the metal center of Cu corroles. The Cu K-edge XAS spectra of Cu corroles are compared to those of analogous Cu(II) porphyrins and time-dependent density functional theory calculations are performed to analyze the pre-edge regions. The results show
more » ... the Cu centers of Cu corroles are somewhat more oxidized relative to those of Cu(II) porphyrins but still retain significant Cu(II) characters.
doi:10.1021/acs.inorgchem.9b00128.s001 fatcat:4r6sqwyopfghbfvkj2l5gegexe
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"Xray Absorption Spectroscopy as a Probe of Ligand Noninnocence in Metallocorroles: The Case of Copper Corroles."