The hydrolysis reaction of acetamide CH3CONH2 involves the breaking of the amide bond and the formation of carboxylic acid and amine products. To understand the mechanism of this reaction using quantum chemical calculations, we can follow these steps:1. Identify the reactants and products: In the hydrolysis of acetamide, water H2O acts as a reactant, and the products are acetic acid CH3COOH and ammonia NH3 .2. Determine the possible transition states: The reaction can proceed through either an acid-catalyzed or base-catalyzed mechanism. In the acid-catalyzed mechanism, a proton from water or another acid catalyst will first attack the carbonyl oxygen of acetamide, forming a tetrahedral intermediate. In the base-catalyzed mechanism, a hydroxide ion OH- will attack the carbonyl carbon, also forming a tetrahedral intermediate.3. Perform quantum chemical calculations: Using computational chemistry software, such as Gaussian or ORCA, you can perform quantum chemical calculations to determine the energy profiles of the reaction pathways. These calculations involve optimizing the geometries of the reactants, products, and transition states, as well as calculating their energies and other properties.4. Analyze the results: By comparing the energies of the reactants, products, and transition states, you can determine the most energetically favorable pathway for the hydrolysis reaction. The lower the energy barrier between the reactants and the transition state, the faster the reaction will proceed. Additionally, you can analyze the geometries of the optimized structures to gain insight into the bond lengths, angles, and other structural features that influence the reaction mechanism.5. Validate the mechanism: To confirm the proposed mechanism, you can compare your computational results with experimental data, such as reaction rates, activation energies, and product distributions. If your calculated values are in good agreement with the experimental data, this provides support for the proposed mechanism.In summary, the mechanism of the hydrolysis reaction of acetamide can be investigated using quantum chemical calculations by identifying the reactants and products, determining the possible transition states, performing calculations to optimize the structures and energies, analyzing the results, and validating the mechanism with experimental data.