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The mechanism and regioselectivity of iridium-mediated cleavage of aromatic C-C bonds in a series of monomethylated, dimethylated, and trimethylated benzenes without the activation of weaker C-H and C-C bonds are… Click to show full abstract
The mechanism and regioselectivity of iridium-mediated cleavage of aromatic C-C bonds in a series of monomethylated, dimethylated, and trimethylated benzenes without the activation of weaker C-H and C-C bonds are clarified using density functional theory (DFT) calculations. The calculations explained why the reactivity of the coordinated arene in the observed C-C bond cleavage reaction decreases as the degree of substitution decreases.
Keywords:
density functional;
iridium mediated;
theory dft;
dft calculations;
functional theory
Journal Title: Organic letters
Year Published: 2018
Link to full text (if available)
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Journal Title: Organic letters
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!