Mechanistic study on [3+2] cycloaddition and cyclopropanation reactions of 1,3-dioxepine derivatives in the presence of copper (I) catalyst

Keyphrases

• Cycloaddition Reaction 100%
• Copper Catalysis 100%
• Dioxepines 100%
• Cyclopropanation Reactions 100%
• Mechanistic Studies 100%
• 2-methyl-1 66%
• Density Functional Theory 33%
• B3LYP/6-31G 33%
• Cycloaddition 33%
• CuO Catalyst 33%
• Free Energy Barrier 33%
• NBO Analysis 33%
• Computational Tools 33%
• Barrier Analysis 33%
• Product Distribution 33%
• Behavior-based 33%

Chemistry

• Mechanistic Study 100%
• Cycloaddition 100%
• cyclopropanation 100%
• DFT-B3LYP Calculation 33%
• Density Functional Theory 33%
• Product Distribution 33%
• Energy Barrier 33%
• Free Energy 33%