QUANTUM-MECHANICS, GROUP-THEORY, AND C(60)

被引:26
作者
RIOUX, F
机构
[1] Saint John's University, Collegeville
关键词
D O I
10.1021/ed071p464
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This analysis provides a simple interpretation of the fact that C60 is an insulator. The model also provides low-lying, unoccupied orbitals to form conduction bands and receive electrons from donors such as potassium. Furthermore, the fact that the LUMO is triply degenerate is consistent with the experimental evidence that K3C60 is a conductor and K6C60 is an insulator (11). Although this simple model is not a rival to the more sophisticated molecular orbital or band theory calculations, it does provide the nonspecialist with an appealing and simple alternative. In his text on molecular quantum mechanics Atkins (8) speaks of the "deep connection between group theory and the quantum mechanics of angular momentum". It is the author's opinion that this simple model for the electronic structure of C60 illustrates that "deep connection".
引用
收藏
页码:464 / 465
页数:2
相关论文
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