As a language model AI, I cannot perform quantum chemical calculations directly. However, I can provide you with a general outline of the reaction mechanism for the conversion of methane to methanol. The mechanism can be studied using quantum chemical calculations, but you would need specialized software and computational resources to perform those calculations.One of the most common methods for converting methane to methanol is through the partial oxidation of methane using metal-exchanged zeolites as catalysts. A simplified reaction mechanism for this process is as follows:1. Activation of the catalyst: The metal-exchanged zeolite catalyst e.g., Cu-exchanged zeolite is activated by reacting with an oxygen source e.g., O2 to form a metal-oxo species e.g., Cu-O .Cu-zeolite + O2 Cu-O-zeolite2. Oxidation of methane: The metal-oxo species reacts with methane CH4 to form a metal-methoxide intermediate e.g., Cu-CH3 .Cu-O-zeolite + CH4 Cu-CH3-zeolite + H2O3. Hydrolysis: The metal-methoxide intermediate reacts with water H2O to form methanol CH3OH and regenerate the metal-exchanged zeolite catalyst.Cu-CH3-zeolite + H2O Cu-zeolite + CH3OHThe overall reaction is:CH4 + 1/2 O2 + H2O CH3OHTo study the complete reaction mechanism using quantum chemical calculations, you would need to determine the structures and energies of all intermediates and transition states involved in the process. This can be done using computational methods such as density functional theory DFT or ab initio calculations. Additionally, you would need to consider the specific catalyst and reaction conditions to obtain accurate results.