Li Jia, Jiang Lianyan, Chen Sheng, Kirchon Angelo, Li Bao, Li Yanshuo, Zhou Hong-Cai
School of Materials Science and Chemical Engineering , Ningbo University , Ningbo , 315211 , People's Republic of China.
Department of Chemistry , Texas A&M University , College Station , Texas 77843-3255 , United States.
J Am Chem Soc. 2019 Mar 6;141(9):3807-3811. doi: 10.1021/jacs.8b13463. Epub 2019 Feb 21.
One of the emerging problems plaguing the chemical industry today is the efficient and cost-effective separation of C hydrocarbons. In order to help address this problem, we report a new material, NbU-1, constructed by extremely cheap starting materials. The special structural characteristics of NbU-1 such as the planar, mixed-valence copper clusters and Lewis-basic adsorption channels enforce interactions with acetylene molecules that lead to the highest kinetic separation efficiency for CH/CH. Via DFT-D calculations, it is indicated that CH molecules are adsorbed onto the two adjacent Cu(I) centers, but not the usual single open metal sites of Cu centers. The reported results not only provide information for a deep investigation into the separation mechanism but also offer an alternative strategy for preparing cost-effective materials that can perform highly efficient separations of light hydrocarbons.
当今困扰化学工业的一个新出现的问题是碳氢化合物的高效且经济高效的分离。为了帮助解决这个问题，我们报道了一种由极其廉价的起始材料构建的新材料NbU-1。NbU-1的特殊结构特征，如平面混合价铜簇和路易斯碱性吸附通道，增强了与乙炔分子的相互作用，从而实现了CH/CH最高的动力学分离效率。通过DFT-D计算表明，CH分子吸附在两个相邻的Cu(I)中心上，而不是通常的单个开放金属位点的Cu中心上。所报道的结果不仅为深入研究分离机理提供了信息，也为制备能够高效分离轻质烃的经济高效材料提供了一种替代策略。
