Au(Ⅰ)-Pd(Ⅱ)-乙烯基的双金属催化的碳锡烷基化反应  

Au(Ⅰ)-Pd(Ⅱ)-vinyl-Bimetallic Carbon-tin Alkylation

作　　者：范伟[1] 邹明静[1] 夏亚钊 李刚[1] 王英玲[1] Fan Wei;Zou Ming-jing;Xia Ya-zhao;Li Gang;Wang Ying-ling

机构地区：[1]菏泽医学专科学校化学教研室,山东菏泽274000

出　　处：《化工设计通讯》2023年第9期81-82,135,共3页Chemical Engineering Design Communications

摘　　要：研究了Au-Pd共催化炔烃与乙烯基锡烷的反应。Pd单独作为催化剂会形成非常高的反应势垒,导致反应不能发生。Au(Ⅰ)配合物的引入避免了在Pd上反式排列形成涉及乙烯基的高能结构,极大降低了反应势垒,通过DFT量化计算说明了Pd和Au的中间体的作用。In this paper,the reaction of Au-Pd co-catalyzed alkynes with vinylstannane was studied.Pd alone as a catalyst creates a very high reaction barrier,resulting in a reaction that cannot occur.The introduction of the Au(I)complex avoids the trans-arrangement on Pd to form a high-energy structure involving vinyl,which is greatly reduced the reaction barrier,and the role of the intermediates of Pd and Au is illustrated by DFT quantification.

关 键 词：双金属催化 乙烯基锡化 密度泛函理论 反应机理 

分 类 号：O621.3[理学—有机化学]