%0 Journal Article
%T Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C60 Synthesis by Dimerization
%A Martha Mojica
%A Francisco M¨Śndez
%A Julio A. Alonso
%J Molecules
%D 2013
%I MDPI AG
%R 10.3390/molecules18022243
%X 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 C 60. The dienophile character of the fullerene fragments is dominant, and the reaction of butadiene with pentacyclopentacorannulene is favored.
%K Diels-Alder cycloaddition
%K fullerene fragments
%K transition states
%K triindenetriphenilene
%K pentacyclopentacorannulene
%U http://www.mdpi.com/1420-3049/18/2/2243