THE STRUCTURE OF C-60MU AND OTHER FULLERENYL RADICALS

被引:48
作者
PERCIVAL, PW
WLODEK, S
机构
[1] Department of Chemistry, Simon Fraser University, Burnaby
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1016/0009-2614(92)85974-F
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
The structures of the radicals exo-C60Mu, endo-C60Mu, and (Mu@C60) are discussed, with particular reference to the spin distribution of the unpaired electron in the most stable isomer (exo). The magnitude of the measured muon hyperfine interaction indicates partial spin delocalization in this radical. This is supported by semi-empirical calculations on C60H. Calculations also show that there is a significant energy barrier between the endo radical and (Mu@C60), supporting the assignment of the pseudo-free muonium signal to the latter structure.
引用
收藏
页码:317 / 320
页数:4
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