ß-Methylation of Primary Alcohols with Methanol Catalyzed by a Metal-Ligand Bifunctional Iridium Catalyst.

The development of efficient methods for the direct introduction of a methyl group into molecules is becoming increasingly important. Herein, the ß-methylation of primary alcohols with methanol has been accomplished under environmentally benign conditions using [Cp*Ir(2,2'-bpyO)(H2O)] as a catalyst. It was found that functional groups in the ligand are crucially important for the activity of the iridium complex. Furthermore, the mechanistic research and application potential of our catalytic system are also presented.

Selective Conversion of Glycerol to Lactic Acid in Water via Acceptorless Dehydrogenation Catalyzed by a Water-Soluble Metal-Ligand Bifunctional Iridium Catalyst.

An efficient method for the selective conversion of glycerol, the major byproduct of the biodiesel manufacturing process, to lactic acid in water via acceptorless dehydrogenation has been developed. In the presence of a water-soluble [Cp*Ir(6,6'-(OH)2-2,2'-bpy)(H2O)][OTf]2 (0.1 mol %) and KOH (1.1 equiv), the reaction proceeded at 120 °C for 24 h to afford the desired product in >99% yield with >99% selectivity. It was confirmed that OH functional groups in the ligand were crucial for the activity of the iridium complex. Furthermore, density functional theory calculations and mechanistic experiments were also undertaken.

Poly(2,2'-Bibenzimidazole)-Supported Iridium Complex: A Recyclable Metal-Polymer Ligand Bifunctional Catalyst for the N-Methylation of Amines with Methanol.

The design and development of new types of catalysts is one of the most important topics for modern chemistry. Herein, a polymer-supported iridium complex Cp*Ir@Poly(2,2'-BiBzIm) was designed and synthesized by the coordinative immobilization of [Cp*IrCl2]2 on 2,2'-bibenzimidazoles. In the presence of the catalyst (0.5 mol % Ir) and Cs2CO3 (0.3 equiv), a variety of N-methylated amines were obtained in high yields with complete selectivity. More importantly, the catalyst could be recycled without an obvious loss of activity for six cycles. Apparently, the designed catalyst combines the advantages of both homogeneous and heterogeneous catalysis.

Upgrading Ethanol to n-Butanol in the Presence of Carbonate Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Carbonylbibenzimidazole Ligand.

Upgrading ethanol to n-butanol as biofuels is an important topic for sustainable chemistry. Herein, a Cp*Ir complex bearing a functional 2,2'-carbonylbibenzimidazole ligand [Cp*Ir(2,2'-COBiBzImH2)Cl][Cl] was designed and synthesized. In the presence of a catalyst (0.1 mol %) and Cs2CO3 (6 mol %), the highest yield of updated n-butanol is up to 37% with 80% selectivity. NH units in the ligand are crucially important for the catalytic activity of the iridium complex.

Simulation of transportation infrastructures resilience: a comprehensive review.

Despite the increasing simulation methods used by the research of transportation infrastructure resilience in the past decade, a comprehensive review of these simulation methods is lacking. Thus, this paper conducted an in-depth review of the major simulation methods adopted by the existing transportation infrastructure resilience literature, which are Monte Carlo simulation, network-based simulation, numerical simulation, and agent-based modeling and simulation. The four simulation methods were reviewed from three perspectives, namely purposes of simulation, data demands, and modeling approaches. Finally, based on the review results, this paper proposed three directions for that the research may go towards in the future. This paper contributes to the current body of knowledge by reviewing the simulation methods adopted by the research of transportation infrastructure resilience. This paper is useful to the practice as well, as it provides practitioners with a holistic view of the practical application of transportation infrastructure resilience simulation, which can enhance their knowledge and skills in this regard.