cross coupling. The N-aryl substituted complex 3b was a highly efficient precatalyst and successfully employed in Suzuki-Miyaura cross coupling reactions of (hetero)aryl chlorides with arylboronic acids in air. In addition, the oxidative addition step of the reaction mechanism involving chlorobenzene and the catalysts 3a, 3b, 3c and 3d were computationally investigated by the DFT-ω-B97X-D method and
制备了一系列的N-芳基(2a,b)或苄基(2c,d)取代的
哌啶并
咪唑啉盐及其
钯配合物(3a - d),并通过1 H,13 C NMR,IR光谱和元素分析进行了表征。3a和3c的晶体结构已经通过X射线晶体学确定。热重分析(TGA)用于复合物(3a – d)。
钯配合物已被用作铃木-宫浦交叉偶联的催化剂。N-芳基取代的配合物3b是一种高效的预催化剂,已成功用于空气中(杂)芳基
氯与芳基
硼酸的Suzuki-Miyaura交叉偶联反应。此外,通过DFT-计算方法研究了涉及
氯苯与催化剂3a,3b,3c和3d的反应机理的氧化加成步骤。ω-
B97X-D法与催化结果完全吻合。为了测量新
配体的σ-给体和π-受体性质,还制备了羰基
铑配合物。