RT info:eu-repo/semantics/article
T1 Growth of fullerene fragments using the diels-alder cycloaddition reaction: first step towards a C60 synthesis by dimerization
A1 Mojica, Martha
A1 Méndez, Francisco
A1 Alonso Martín, Julio Alfonso
K1 Diels-Alder cycloaddition
K1 Fullerene fragments
K1 Transition states
K1 Triindenetriphenilene
K1 Pentacyclopentacorannulene
K1 22 Física
AB 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.
PB MDPI
SN 1420-3049
YR 2013
FD 2013
LK https://uvadoc.uva.es/handle/10324/57247
UL https://uvadoc.uva.es/handle/10324/57247
LA eng
NO Molecules, 2013, vol. 18, n. 2, p. 2243-2254
NO Producción Científica
DS UVaDOC
RD 17-jul-2024