Year: 2024
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide In this report, we present a structurally and spectroscopically characterized diorganocopper system in three distinct oxidation states: [Cu II Cu II ] ( 1 ), [Cu II Cu III ] ( 2 ), and [Cu III Cu III ] ( 3 ). These states are stabilized by a macrocyclic ligand scaffold featuring two square-planar coordination {C 2 NHC N 2 pyrazole }. We have analyzed the geometric and electronic structures using X-ray diffraction (XRD) and multiple spectroscopic methods including nuclear magnetic resonance (NMR), UV–vis, and electron paramagnetic resonance (EPR) spectroscopies, in combination with density functional theory (DFT) calculations. Remarkably, this study provides a structural determination of mixed-valence diorganocopper(II,III) complex 2, which is at the borderline between valence-trapped or charge-localized class I systems and charge moderately delocalized class II systems in Robin and Day classification. These findings enhance our understanding of the systematic structural and electronic changes that occur in diorganocopper complexes in response to redox transformations.
Source: JACS Au
Authors: Kai Hua, Fei Xie, Shengfa Ye, Ming-Tian Zhang
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,500
OpenAlex ID: W4403457936