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用于选择性乙烯寡合化的催化剂,具有双核PNP合物

Xiangyang Meng¹, Zhiqiang Ding¹, Huan Gao¹

¹Tianjin Key Laboratory of Composite & Functional Materials, School of Materials Science and Engineering, Tianjin University, Tianjin 300350, China.

Molecules (Basel, Switzerland)

|May 11, 2024

概括

新的双核PNP配体增强了乙烯的寡合化. PNP/Cr(acac) 3/MAO催化系统显示出高活性和选择性,用于1-hexene和1-octene生产.

科学领域:

有机金属化学有机金属化学
催化剂是一种催化剂.
聚合物科学聚合物科学

背景情况:

乙烯寡合化对于生产线性α-olefins至关重要.
开发高效和选择性催化剂仍然是石化行业的一个关键挑战.
在催化应用中,PNP联体具有可调节的电子和固态特性.

研究的目的:

在循环基胺支架的基础上合成新的双核PNP配体.
为了研究这些配体在乙烯寡合化中的催化性能.
使用计算方法探索结构-活动关系.

主要方法:

新型双核PNP配体的合成.
使用PNP/Cr(acac) 3/MAO催化系统进行乙烯寡合化实验.
密度函数理论 (DFT) 计算来分析连接体结构和性能.

主要成果:

在cyclohexyl框架上对位的PNP位点显著增强了催化活性.
催化系统实现了高活性 (高达3887.7kg·g-1·h-1).
在40°C和50 bar时观察到对1-hexene和1-octene的优异选择性 (84.5%).

结论:

设计的双核PNP配体对选择性乙烯寡合化非常有效.
连接体结构在确定催化活性和选择性方面发挥着关键作用.
这项研究为设计先进的氨酸寡合化催化剂提供了宝贵的见解.

关键词:

一个1 - 八烯.对于PNP连接物,PNP连接物是非常重要的.乙烯的寡合化方法

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