期刊
CHEMICAL COMMUNICATIONS
卷 47, 期 25, 页码 7051-7053出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cc11072a
关键词
-
资金
- COST Action NanoTP [Action MP0901]
- Research Foundation - Flanders (FWO)
A systematic density functional study of chlorine addition to C(70) up to C(70)Cl(12) confirms experimental observations of regioselectivity and stability of C(70)Cl(10). We show that K@C(70) follows an alternative addition sequence with different isomers and magic numbers to C(70) such as KC(70)Cl(3). This prediction is important for controlling functionalisation behaviour via encapsulation and endofullerene purification.
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