Effects of the Substituent Groups on the Reaction Mechanism of the Thermal Decomposition of Diazo Aldehydes: A Computational Study

Key Points

• The study demonstrates distinct effects of substituent groups on thermal decomposition processes.
• Key findings indicate that varying substituents can alter the activation energy significantly.
• Using advanced computational methods, the reaction mechanisms were extensively analyzed across several scenarios.
• These insights highlight the importance of molecular design in optimizing diazo aldehyde reactions.