Fullerene hydrides based on skew pentagonal pyramidal arrangements of hydrogen atoms

被引:12
作者
Clare, BW [1 ]
Kepert, DL [1 ]
机构
[1] UNIV WESTERN AUSTRALIA, RES CTR ADV MINERAL & MAT PROC, NEDLANDS, WA 6009, AUSTRALIA
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1996年 / 363卷 / 02期
基金
澳大利亚研究理事会;
关键词
fullerene hydride; hydrogen atom; skew pentagonal pyramidal arrangement;
D O I
10.1016/0166-1280(95)04446-9
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Following experimental and theoretical studies on fullerene bromides in which discrete skew pentagonal pyramidal arrangements of bromine atoms can be observed, similar structures have been investigated for the fullerene hydrides. Pairs of hydrogen atoms are considered to add to six-membered. carbon rings in either an ortho or para arrangement, compared with only ortho in previous studies. A number of structures have been found which are more stable than any previously reported, based on the single skew pentagonal pyramidal C60H6, the double skew pentagonal pyramidal C60H12, and the triple skew pentagonal pyramidal C60H18.
引用
收藏
页码:179 / 190
页数:12
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