A novel method for highly efficient nitric oxide absorption by azole-based ionic liquid was reported. The NO absorption capacity reached up to 4.52 mol per mol ionic liquid and is significant higher than the capacity other traditional absorbents. Moreover, the absorption of NO by this ionic liquid was reversible. Through a combination of experimental absorption, quantum chemical calculation, NMR and FT-IR spectroscopic investigation, the results indicated that such high capacity originated from multiple-site interactions between NO and the anion through the formation of NONOate with the chemical formula R R N-(NO )-N=O, where R and R are alkyl groups. We believe that this highly efficient and reversible NO absorption by an azole-based ionic liquid paves a new way for gas capture and utilization.

A strategy to achieve the efficient synthesis of alkylidene carbonates from CO2 at atmospheric pressure by tuning the basicity of ionic liquids was developed. Excellent yields were obtained due to basic ionic liquids' dual roles both as absorbents and as activators. The reaction mechanism was investigated through a combination of NMR spectroscopy, controlled experiments and quantum calculations, indicating the importance of a moderate basicity.

A strategy for the highly efficient synthesis of 3(2H)-furanones by hydration of diyne alcohols catalyzed by base-functionalized ionic liquids under atmospheric-pressure CO that was developed through computer-assisted design is reported. The best range of basic ionic liquids as catalysts was predicted at first, and [HDBU][BenIm] exhibited the highest catalytic activity. Through a combination of NMR spectroscopic investigations and quantum-chemical calculations, the results indicated the importance of the basicity of the anion and the species of cation in the ionic liquid.

Ionic liquids can be designed by varying a great deal of anions and cations offering efficient CO 2 capture or CO 2 utilization. Generally, the anion played a key role, but the cation did not have a significant impact. Here, a strategy for rational design of functionalized ionic liquids for efficient synthesis of quinazoline-2,4(1H,3H)-diones from CO 2 has been developed through tuning the cations of aprotic ionic liquids. The basicity of cation affects its catalytic activity dramatically and the hydrogen bond from cation can promote this reaction. Then, hydroxyl functionalized ionic liquid [Ch][Im] was designed, which exhibited the best catalytic activity in this reaction. Through the combination of quantum-chemical calculations, NMR spectroscopic investigations, and controlled experiments, the results indicate that in situ generated [Ch][Im]-CO 2 complex is the real catalyst. Furthermore, aprotic IL [Ch][Im] exhibits good generality and reuseability. Remarkably, quinazoline-2,4(1H,3H)-dione can also be obtained under simulated flue gas system on a gram scale with excellent yield using [Ch][Im] as catalyst. As we know, this is the first time that obtains quinazoline-2,4(1H,3H)-dione in excellent yield under flue gas condition.