Novel solvent giving well‐coordinated interactions in solvent–solute system: Synthesis and methyl mercaptan absorption

Abstract Solvents that capture gases through high dissolution affinity often face mass transfer challenges due to strong solvent‐solvent interactions. Successful development of high‐performance solvents requires well‐coordinated intermolecular interactions within solvent‐solute systems. In this study, a new solvent, 1‐(2‐(diethylamino)ethoxy)butan‐2‐amine (DEAEBA), was synthesized for the first time and applied for effective organosulfide capture. Solubility measurements confirm the record absorption capability for methyl mercaptan (MeSH), featuring the lowest Henry's constant and the fastest dissolution rate. Interaction characterization combined with theoretical calculations revealed that the unique molecular structure of DEAEBA enhances its affinity toward MeSH while weakening solvent self‐association. Finally, laboratory‐scale absorption and regeneration experiments demonstrate that DEAEBA possesses promising organosulfide removal performance and excellent regenerability. This study demonstrates a rational molecule design to precisely control complex intermolecular interactions in solvent‐solute systems for efficient capture of pollutants and impurities during environmental management as well as energy and chemical production.