DFT Calculations and Synthesis Reveal: Key Intermediates, Omitted Mechanisms, and Unsymmetrical Bimane Products

Keyphrases

• DFT Calculations 100%
• Bimane 100%
• Unsymmetrical 100%
• Cyclopropenone 50%
• Rate-limiting Step 25%
• Product Distribution 25%
• Curve Fitting 25%
• First-order Kinetics 25%
• Reaction Mixture 25%
• Thermal Conditions 25%
• Unexpected Outcomes 25%
• Staggering 25%
• Second-order Kinetics 25%
• Complementary and 25%
• Diaziridines 25%

Chemistry

• Cyclopropenone 100%
• Density Functional Theory 100%
• Product Distribution 50%
• Kinetic Order 50%
• formation 50%