title: Growth of fullerene fragments using the Diels-Alder cycloaddition reaction: first step towards a C60 synthesis by dimerization.
abstract: Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder cycloaddition reactions to grow fullerene fragments step by step, and to dimerize fullerene fragments, as a way to obtain C₆₀. The dienophile character of the fullerene fragments is dominant, and the reaction of butadiene with pentacyclopentacorannulene is favored.
authors: Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana, Unidad Iztapalapa, A.P. 55-534, México, D.F. 09340, Mexico.
authors: Martha
authors: M
authors: Mojica
authors: Francisco
authors: F
authors: Méndez
authors: Julio A
authors: JA
authors: Alonso
mesh_terms: D061565:Cycloaddition Reaction / Q000379:methods*; D019281:Dimerization; D019277:Entropy; D037741:Fullerenes / Q000737:chemistry*; D006865:Hydrogenation; D007700:Kinetics; D008958:Models, Molecular
chemical_list: D037741:Fullerenes; C069837:fullerene C60