Richaud Arlette, López María J, Mojica Martha, Alonso Julio A, Méndez Francisco
División de Ciencias Básicas e Ingeniería, Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa A.P. 55-534 México D. F. 09340 Mexico
LE STUDIUM RESEARCH FELLOW, Loire Valley Institute for Advanced Studies Orléans & Tours France.
RSC Adv. 2020 Jan 22;10(7):3689-3693. doi: 10.1039/c9ra09804f.
The chemical synthesis of C fullerene in the laboratory is still a challenge. In order to achieve this goal, we propose a synthetic route based on the dimerization between two pentacyclopentacorannulene (CH) fragments employing the Diels-Alder cycloaddition reaction. Density functional calculations indicate that a step wise non-concerted dimerization mechanism of CH is favored over a one stage dimerization. The step wise dimerization implies the sequential formation of 2, 4, 6, and 10 new C-C bonds between the two fragments. This leads to the formation of the Diels-Alder cycloadduct CH. The results then suggest the synthesis of CH as a precursor for C. The synthesis of the analogue CF has already been reported.
在实验室中化学合成C富勒烯仍然是一项挑战。为了实现这一目标，我们提出了一种基于两个五环戊搭烯（CH）片段之间的二聚反应的合成路线，该反应采用狄尔斯-阿尔德环加成反应。密度泛函计算表明，CH的逐步非协同二聚化机制比一步二聚化更有利。逐步二聚化意味着在两个片段之间依次形成2个、4个、6个和10个新的C-C键。这导致了狄尔斯-阿尔德环加成产物CH的形成。结果表明，合成CH作为C的前体。类似物CF的合成已经有报道。
