801
(Invited) Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction

Wednesday, 16 May 2018: 11:40
Room 204 (Washington State Convention Center)
F. Méndez (Universidad Autónoma Metropolitana), J. A. Alonso (Universidad de Valladolid), and M. Mojica (Universidad Autónoma Metropolitana)
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.