CONVEX VS CONCAVE PI-FACIAL BINDING OF METAL-CATIONS TO A SEMIBUCKMINSTERFULLERENE - AN AB-INITIO STUDY

被引：23

作者：

SYGULA, A

RABIDEAU, PW

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1994年 / 19期

关键词：

D O I：

10.1039/c39940002271

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In contrast with both MNDO and PM3 semiempirical calculations that predict preferential binding of a number of metal cations to the convex face of triindenotriphenylene, ab initio calculations suggest modest to strong preference for the concave side in six of seven cases studied.

引用

页码：2271 / 2272

页数：2

共 14 条

[11] ION-SOLVENT MOLECULE INTERACTIONS IN THE GAS-PHASE - THE POTASSIUM-ION AND BENZENE [J].