BONDING AND DELOCALIZATION IN C-60 VIA TOPOGRAPHICAL ANALYSIS OF THE ELECTROSTATIC POTENTIAL AND ELECTRON-DENSITY

被引：12

作者：

CLAXTON, TA

SHIRSAT, RN

GADRE, SR

机构：

[1] UNIV LEICESTER, DEPT CHEM, LEICESTER LE1 7RH, ENGLAND

[2] UNIV POONA, POONA 411007, MAHARASHTRA, INDIA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1994年 / 06期

关键词：

D O I：

10.1039/c39940000731

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Analysis of the ab initio electron density distribution of C60 show that all exo bonds to the five-membered rings have partial double-bond character with all molecular electrostatic potential minima located outside the molecular cage.

引用

页码：731 / 732

页数：2

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