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Electronic Structure of Copper Corroles
Author(s) -
Lemon Christopher M.,
Huynh Michael,
Maher Andrew G.,
Anderson Bryce L.,
Bloch Eric D.,
Powers David C.,
Nocera Daniel G.
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201509099
Subject(s) - corrole , copper , electron paramagnetic resonance , x ray photoelectron spectroscopy , chemistry , oxidation state , electronic structure , ground state , ligand (biochemistry) , electron configuration , inorganic chemistry , crystallography , computational chemistry , metal , nuclear magnetic resonance , ion , physics , atomic physics , organic chemistry , biochemistry , receptor
The ground state electronic structure of copper corroles has been a topic of debate and revision since the advent of corrole chemistry. Computational studies formulate neutral Cu corroles with an antiferromagnetically coupled Cu II corrole radical cation ground state. X‐ray photoelectron spectroscopy, EPR, and magnetometry support this assignment. For comparison, Cu II isocorrole and [TBA][Cu(CF 3 ) 4 ] were studied as authentic Cu II and Cu III samples, respectively. In addition, the one‐electron reduction and one‐electron oxidation processes are both ligand‐based, demonstrating that the Cu II centre is retained in these derivatives. These observations underscore ligand non‐innocence in copper corrole complexes.