Targeted Synthesis of Durene from CO2 via a Tailored Coupling Reaction Pathway

Area of Science:

• Catalysis
• Materials Science
• Chemical Engineering

Background:

• CO2 utilization remains a significant challenge in sustainable chemistry.
• Aromatic compounds like durene are valuable industrial chemicals.
• Selective synthesis of durene from CO2 requires advanced catalytic strategies.

Purpose of the Study:

• To develop a highly selective catalytic system for converting CO2 to durene (1,2,4,5-tetramethylbenzene).
• To elucidate the reaction pathway and catalyst structural evolution during CO2 transformation.
• To optimize catalyst design for efficient CO2 hydrogenation and shape-selective methylation.

Main Methods:

• In situ DRIFTS, RAS, and XAFS spectroscopy for reaction pathway analysis.
• Density functional theory (DFT) calculations for mechanistic insights.
• Development and optimization of multifunctional oxide-zeolite catalysts (InZrOx/ZSM-5).

Main Results:

• A tetragonal InZrOx solid solution catalyst promoted CO2 hydrogenation via the HCOO* pathway at low temperatures.
• Optimized ZSM-5 nanosheet zeolites with specific pore structures enhanced shape-selective methylation.
• The coupled InZrOx/ZSM-5 catalyst achieved 83.3% selectivity for durene synthesis.

Conclusions:

• The InZrOx/ZSM-5 catalyst enables efficient and selective CO2 conversion to durene.
• Synergistic effects between the oxide and zeolite components are crucial for high performance.
• This approach offers a promising route for sustainable production of high-value aromatic compounds from CO2.