Electronic Effects of Para-phenolate Substitution in an Extended Series of Neutral and Oxidized Chromium Salen Nitrides

Key Points

• The central aim is to explore how para-phenolate substitution affects the electronic properties and reactivity of chromium salen nitrides.
• Analyzed a series of chromium salen nitrides with varied para-phenolate substitutions.
• Performed electronic structure calculations to quantify the effects of substitution.
• Examined the reactivity patterns for N-atom transfer related to electronic changes.
• Identified distinct electronic perturbations linked to specific para-phenolate substitutions.
• Demonstrated enhanced reactivity in certain substituted derivatives compared to others.
• Established a correlation between substitution and N-atom transfer efficiency with variability across the series.

Abstract