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Updated: Mar 26, 2026

Accumulation and Analysis of Cuprous Ions in a Copper Sulfate Plating Solution

Accumulation and Analysis of Cuprous Ions in a Copper Sulfate Plating Solution

Published on: March 20, 2019

Electronic Structure of Copper Corroles.

Christopher M Lemon¹, Michael Huynh¹, Andrew G Maher¹

¹Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, MA, 02138, USA.

Angewandte Chemie (International Ed. in English)

|February 3, 2016

Summary

This summary is machine-generated.

Computational studies reveal copper corroles possess a Cu(II) corrole radical cation ground state. Experimental data confirms this, highlighting ligand non-innocence in these copper complexes.

Keywords:

computational chemistry copper corroles electronic structure ligand non-innocence redox chemistry

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Area of Science:

Inorganic Chemistry
Computational Chemistry
Spectroscopy

Background:

The electronic structure of copper corroles has been historically debated.
Understanding the oxidation states and electronic configuration is crucial for corrole chemistry.

Purpose of the Study:

To elucidate the ground state electronic structure of neutral copper corroles.
To investigate the role of ligand non-innocence in copper corrole redox processes.

Main Methods:

Density Functional Theory (DFT) calculations for electronic structure.
X-ray photoelectron spectroscopy (XPS) for electronic state analysis.
Electron Paramagnetic Resonance (EPR) and magnetometry for magnetic properties.

Main Results:

Computational studies predict an antiferromagnetically coupled Cu(II) corrole radical cation ground state.
Experimental techniques (XPS, EPR, magnetometry) corroborate the computational findings.
Redox processes (one-electron reduction/oxidation) were found to be ligand-based, retaining the Cu(II) center.

Conclusions:

The ground state of neutral copper corroles is confirmed as a Cu(II) corrole radical cation.
Ligand non-innocence plays a significant role in the redox behavior of copper corrole complexes.