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
收藏
页码：11059 / 11066
页数：8
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