Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization

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...

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Detalles Bibliográficos
Autores principales: Mojica, Martha, Méndez, Francisco, Alonso, Julio A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270520/
https://www.ncbi.nlm.nih.gov/pubmed/23434874
http://dx.doi.org/10.3390/molecules18022243
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author Mojica, Martha
Méndez, Francisco
Alonso, Julio A.
author_facet Mojica, Martha
Méndez, Francisco
Alonso, Julio A.
author_sort Mojica, Martha
collection PubMed
description 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.
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spelling pubmed-62705202018-12-14 Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization Mojica, Martha Méndez, Francisco Alonso, Julio A. Molecules Article 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. MDPI 2013-02-13 /pmc/articles/PMC6270520/ /pubmed/23434874 http://dx.doi.org/10.3390/molecules18022243 Text en © 2013 by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Mojica, Martha
Méndez, Francisco
Alonso, Julio A.
Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title_full Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title_fullStr Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title_full_unstemmed Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title_short Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C(60) Synthesis by Dimerization
title_sort growth of fullerene fragments using the diels-alder cycloaddition reaction: first step towards a c(60) synthesis by dimerization
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270520/
https://www.ncbi.nlm.nih.gov/pubmed/23434874
http://dx.doi.org/10.3390/molecules18022243
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AT mendezfrancisco growthoffullerenefragmentsusingthedielsaldercycloadditionreactionfirststeptowardsac60synthesisbydimerization
AT alonsojulioa growthoffullerenefragmentsusingthedielsaldercycloadditionreactionfirststeptowardsac60synthesisbydimerization

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