A novel radical reaction of monometallofullerene Y@C2v(9)-C82 with N-arylbezamidine (1) is successfully conducted through catalysis with silver carbonate. The high-performance liquid chromatographic and mass spectrum results demonstrate that the reaction is highly regioselective to afford only one monoadduct (2) with an imidazoline group added on C82 cage, and computations through density functional theory reveal the addition group is attached to a specific [5, 6]-bond (C20-C76) near the Y atom. Furthermore, the analysis of prymidalization angle of the carbon atoms demonstrates the geometry of carbon cage is in favor of the regioselective formation of isomer (20, 76).
中文翻译:
碳酸银介导的单金属富勒烯Y @ C2v(9)-C82与N-芳基苯甲m的区域选择性自由基反应
单金属富勒烯Y @ C 2v(9)-C 82与N-芳基氮杂(1个)是通过碳酸银催化成功进行的。高效液相色谱和质谱结果表明,该反应具有很高的区域选择性,仅可提供一种单加合物(2)在C 82笼子上添加了一个咪唑啉基团,通过密度泛函理论进行的计算表明,该加成基团连接至Y原子附近的特定[5,6]键(C20-C76)。此外,对碳原子的丙烯酰化角的分析表明,碳笼的几何形状有利于异构体的区域选择性形成(20、76)。