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Inside Cover: A Computational Study on Iridium‐Catalyzed Production of Acetic Acid from Ethanol and Water Solution (Chin. J. Chem. 9/2019)
Authors:Xin Yue  Longfei Li  Pengjie Li  Chenguang Luo  Min Pu  Zuoyin Yang  Ming Lei
Abstract:The inside cover picture shows the hydrogen transfer process of the production of acetic acid from ethanol and water mixture catalyzed by iridium catalyst owning bpyO ligand. A DFT mechanistic study indicates that the cooperation of the iridium center and bpyO ligand plays an important role in the catalytic activity, and that the hydrogen release process from the iridium center is the rate‐determining step. More details are discussed in the article by Lei et al. on page 883–886.
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