• • The optimized Moac@TS catalyst achieved a styrene conversion of 83.4% and a selectivity of 75.3% under mild conditions, demonstrating effective rate balance between epoxidation and cycloaddition steps.
• • Encapsulation of molybdenum acetylacetonate within TS-1 zeolite preserves the intrinsic crystallinity, porosity, and tetrahedral Ti sites, ensuring structural stability and resistance to active species leaching over five repeated cycles.
• • Electronic interaction between encapsulated Mo species and framework Ti atoms creates synergistic active centers, which are decisive in regulating the formation and transformation of the styrene oxide intermediate.
• • Adjusting Mo loading directly influences the epoxidation rate, allowing fine control over the relative rates of the two reaction steps, which is essential for maximizing carbonate selectivity and minimizing side reactions.
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