Electronic structure of icosahedral fullerenes

✍ Scribed by Au Chin Tang; Fu Qiang Huang

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 136 KB
• Volume: 63
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1997)63:2<367::aid-qua8>3.0.co;2-u

✦ Synopsis

In this article, a new method was proposed to solve the Huckel Hamiltonian of any fullerene with a certain point group as its symmetry. This method was applied to Ž 2 . calculate the energy levels of icosahedral fullerenes C I , n s 60 h , 25 G h ) 0 , C

. I , n s 20 h , 39 G h ) 0 , and C I, n s 20 h q hk q k , 20 y k G h ) k ) 0 , where h n h and k are two integers. From the calculated results, certain general rules were obtained for the stability and chemical reactivity of icosahedral fullerenes.