期刊
MOLECULES
卷 18, 期 2, 页码 2243-2254出版社
MDPI
DOI: 10.3390/molecules18022243
关键词
Diels-Alder cycloaddition; fullerene fragments; transition states; triindenetriphenilene; pentacyclopentacorannulene
资金
- MEC of Spain
- European Regional Development Fund [MAT2011-22781]
- Junta de Castilla y Leon [VA158A11-2]
- CONACyT-Mexico [180523, 163234, 228923]
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据