单原子有机锆催化剂嵌入金属有机骨架中。
Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework.
机构信息
Department of Chemistry, Northwestern University , Evanston, Illinois 60208, United States.
Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota , Minneapolis, Minnesota 55455, United States.
出版信息
J Am Chem Soc. 2015 Dec 23;137(50):15680-3. doi: 10.1021/jacs.5b11350. Epub 2015 Dec 14.
A structurally well-defined mesoporous Hf-based metal-organic framework (Hf-NU-1000) is employed as a well-defined scaffold for a highly electrophilic single-site d(0) Zr-benzyl catalytic center. This new material Hf-NU-1000-ZrBn is fully characterized by a variety of spectroscopic techniques and DFT computation. Hf-NU-1000-ZrBn is found to be a promising single-component catalyst (i.e., not requiring a catalyst/activator) for ethylene and stereoregular 1-hexene polymerization.
采用结构明确的介孔 Hf 基金属有机骨架（Hf-NU-1000）作为高度亲电单原子 d(0)Zr 苄基催化中心的明确支架。通过多种光谱技术和 DFT 计算对新材料 Hf-NU-1000-ZrBn 进行了充分的表征。研究发现，Hf-NU-1000-ZrBn 是乙烯和立体规整 1-己烯聚合的一种很有前途的单组分催化剂（即不需要催化剂/活化剂）。
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