FULLERENES VS FULLEROIDS - UNDERSTANDING THEIR RELATIVE ENERGIES

被引：16

作者：

WARNER, PM

机构：

[1] Department of Chemistry, Northeastern University, Boston

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1994年 / 116卷 / 24期

关键词：

D O I：

10.1021/ja00103a023

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Both force-field (MMPI) and AM1 (restricted and unrestricted HF) calculations are herein used to investigate the underlying reasons for the fullerene-fulleroid structural dichotomies observed in carbene, silylene, nitrene, and oxygen adducts of C-60. Via the investigation of a series of model systems, it is demonstrated that curvature actually favors the open, fulleroid structure; this effect of curvature on the norcaradiene-cycloheptatriene equilibrium is general. Strategies for the creation of 6,6-bridged fulleroids are suggested.

引用

页码：11059 / 11066

页数：8

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